CCOC(=O)C1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=N3)C(C)C)C=O
Name: ethyl 3-formyl-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate
SMILES: CCOC(=O)C1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=N3)C(C)C)C=O

Molecular Processing

Molecular formula
C21H22N2O3
Molecular weight
350.42
Exact mass
350.163
XLogP
4.2
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
100.71

Supplementary Information

InChIKey: UMUYZUBAUQSEHC-UHFFFAOYSA-N
Synonyme
SCHEMBL4880441UMUYZUBAUQSEHC-UHFFFAOYSA-NEthyl 3-Formyl-2-isopropyl-1-(pyridin-2-ylmethyl)-1H-indole-6-carboxylateEthyl3-Formyl-2-isopropyl-1-(pyridin-2-ylmethyl)-1H-indole-6-carboxylate
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