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

Systemtic Name: methyl 4-[[3,6-bis[3-(dimethylamino)-3-oxidanylidene-propyl]indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[3,6-bis[3-(dimethylamino)-3-oxo-propyl]indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[3,6-bis[3-(dimethylamino)-3-oxopropyl]-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[3,6-bis[3-(dimethylamino)-3-oxopropyl]indol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[3,6-bis[3-(dimethylamino)-3-keto-propyl]indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC)OC)CCC(=O)N(C)C

Isomeric SMILES

CN(C)C(=O)CCC1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC)OC)CCC(=O)N(C)C

InChI

InChI=1S/C28H35N3O5/c1-29(2)26(32)13-8-19-7-12-23-21(11-14-27(33)30(3)4)17-31(24(23)15-19)18-22-10-9-20(28(34)36-6)16-25(22)35-5/h7,9-10,12,15-17H,8,11,13-14,18H2,1-6H3