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

Systemtic Name: 4-[[3,6-bis[3-(dimethylamino)-3-oxidanylidene-propyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[3,6-bis[3-(dimethylamino)-3-oxo-propyl]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[3,6-bis[3-(dimethylamino)-3-oxopropyl]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3,6-bis[3-(dimethylamino)-3-oxopropyl]indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[3,6-bis[3-(dimethylamino)-3-keto-propyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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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)O)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)O)OC)CCC(=O)N(C)C

InChI

InChI=1S/C27H33N3O5/c1-28(2)25(31)12-7-18-6-11-22-20(10-13-26(32)29(3)4)16-30(23(22)14-18)17-21-9-8-19(27(33)34)15-24(21)35-5/h6,8-9,11,14-16H,7,10,12-13,17H2,1-5H3,(H,33,34)