CCOC(=O)C1C(CN=C1C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)OCO4
CAS: 173864-46-5
Nombre: ethyl 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-3,4-dihydro-2H-pyrrole-4-carboxylate
SMILES: CCOC(=O)C1C(CN=C1C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)OCO4

Molecular Processing

Molecular formula
C21H21NO5
Molecular weight
367.4
Exact mass
367.142
XLogP
3.19
TPSA
66.35
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
99.83

Supplementary Information

InChIKey: GTQMULSWASGYOW-UHFFFAOYSA-N
Sinónimos
2PC69SX5ZBSCHEMBL4995187GTQMULSWASGYOW-UHFFFAOYSA-NEthyl 3-(1,3-benzodioxol-5-yl)-3,4-dihydro-5-(4-methoxyphenyl)-2H-pyrrole-4-carboxylateEthyl 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-3H-pyrrole-3-carboxylate173864-46-52H-Pyrrole-4-carboxylic acid, 3-(1,3-benzodioxol-5-yl)-3,4-dihydro-5-(4-methoxyphenyl)-, ethyl esterethyl 2-(4-methoxyphenyl)-4-(3,4-methylenedioxyphenyl)-4,5-dihydro-3H -pyrrole-3-carboxylateethyl 2-(4-methoxyphenyl)-4-(3,4-methylenedioxyphenyl)-4,5-dihydro-3H-pyrrole-3-carboxylate
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