4-[[5-[4-(dimethylamino)-3-methyl-4-oxidanylidene-butyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[5-[4-(dimethylamino)-3-methyl-4-oxidanylidene-butyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-[4-(dimethylamino)-3-methyl-4-oxo-butyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[4-(dimethylamino)-3-methyl-4-oxobutyl]-1-propyl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-[4-(dimethylamino)-3-methyl-4-oxobutyl]-1-propylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-[4-(dimethylamino)-4-keto-3-methyl-butyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)CCC(C)C(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)CCC(C)C(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C27H34N2O4/c1-6-13-29-17-22(15-20-10-11-21(27(31)32)16-25(20)33-5)23-14-19(9-12-24(23)29)8-7-18(2)26(30)28(3)4/h9-12,14,16-18H,6-8,13,15H2,1-5H3,(H,31,32)