CCCC(C(=O)OC)N1C=C(C2=C1C(=CC=C2)OC)CC3=CC=CC=C3
Name: methyl 2-(3-benzyl-7-methoxyindol-1-yl)pentanoate
SMILES: CCCC(C(=O)OC)N1C=C(C2=C1C(=CC=C2)OC)CC3=CC=CC=C3

Molecular Processing

Molecular formula
C22H25NO3
Molecular weight
351.45
Exact mass
351.1834
XLogP
4.75
TPSA
40.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
103.7

Supplementary Information

InChIKey: XPTYCSXFJJLTGH-UHFFFAOYSA-N
Synonyme
SCHEMBL6778075XPTYCSXFJJLTGH-UHFFFAOYSA-Nmethyl 2-[3-phenylmethyl-7-methoxyindol-1-yl]pentanoate
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