4-[[5-[4-(dimethylamino)-4-oxidanylidene-butyl]-1-propan-2-yl-indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[5-[4-(dimethylamino)-4-oxidanylidene-butyl]-1-propan-2-yl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-[4-(dimethylamino)-4-oxo-butyl]-1-isopropyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[4-(dimethylamino)-4-oxobutyl]-1-propan-2-yl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-[4-(dimethylamino)-4-oxobutyl]-1-propan-2-ylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-[4-(dimethylamino)-4-keto-butyl]-1-isopropyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1C=CC(=C2)CCCC(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC(C)N1C=C(C2=C1C=CC(=C2)CCCC(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C26H32N2O4/c1-17(2)28-16-21(14-19-10-11-20(26(30)31)15-24(19)32-5)22-13-18(9-12-23(22)28)7-6-8-25(29)27(3)4/h9-13,15-17H,6-8,14H2,1-5H3,(H,30,31)