methyl 4-[[6-[4-(dimethylamino)-4-oxidanylidene-butyl]-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[6-[4-(dimethylamino)-4-oxidanylidene-butyl]-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[6-[4-(dimethylamino)-4-oxo-butyl]-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[4-(dimethylamino)-4-oxobutyl]-3-propyl-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[6-[4-(dimethylamino)-4-oxobutyl]-3-propylindol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-[4-(dimethylamino)-4-keto-butyl]-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C1C=CC(=C2)CCCC(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCC1=CN(C2=C1C=CC(=C2)CCCC(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C27H34N2O4/c1-6-8-21-17-29(18-22-13-12-20(27(31)33-5)16-25(22)32-4)24-15-19(11-14-23(21)24)9-7-10-26(30)28(2)3/h11-17H,6-10,18H2,1-5H3