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

Systemtic Name: 4-[[6-[4-(dimethylamino)-4-oxidanylidene-butyl]-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-[4-(dimethylamino)-4-oxo-butyl]-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[4-(dimethylamino)-4-oxobutyl]-3-propyl-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-[4-(dimethylamino)-4-oxobutyl]-3-propylindol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-[4-(dimethylamino)-4-keto-butyl]-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C1C=CC(=C2)CCCC(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCC1=CN(C2=C1C=CC(=C2)CCCC(=O)N(C)C)CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C26H32N2O4/c1-5-7-20-16-28(17-21-12-11-19(26(30)31)15-24(21)32-4)23-14-18(10-13-22(20)23)8-6-9-25(29)27(2)3/h10-16H,5-9,17H2,1-4H3,(H,30,31)