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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)CC3=C(C=CC(=C3OC)CCCC(=O)N(C)C)C(=O)O

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)CC3=C(C=CC(=C3OC)CCCC(=O)N(C)C)C(=O)O

InChI

InChI=1S/C26H32N2O4/c1-5-15-28-17-19(20-10-6-7-11-23(20)28)16-22-21(26(30)31)14-13-18(25(22)32-4)9-8-12-24(29)27(2)3/h6-7,10-11,13-14,17H,5,8-9,12,15-16H2,1-4H3,(H,30,31)