4-(dimethylamino)-3-methoxy-5-(4-oxidanylidenebutyl)-2-[(3-propylindol-1-yl)methyl]benzoic acid

Systemtic Name: 4-(dimethylamino)-3-methoxy-5-(4-oxidanylidenebutyl)-2-[(3-propylindol-1-yl)methyl]benzoic acid Openeye Name: 4-(dimethylamino)-3-methoxy-5-(4-oxobutyl)-2-[(3-propylindol-1-yl)methyl]benzoic acid CAS Name: 4-(dimethylamino)-3-methoxy-5-(4-oxobutyl)-2-[(3-propyl-1-indolyl)methyl]benzoic acid IUPAC Name: 4-(dimethylamino)-3-methoxy-5-(4-oxobutyl)-2-[(3-propylindol-1-yl)methyl]benzoic acid Traditional Name: 4-(dimethylamino)-5-(4-ketobutyl)-3-methoxy-2-[(3-propylindol-1-yl)methyl]benzoic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=CC=CC=C21)CC3=C(C(=C(C=C3C(=O)O)CCCC=O)N(C)C)OC

Isomeric SMILES

CCCC1=CN(C2=CC=CC=C21)CC3=C(C(=C(C=C3C(=O)O)CCCC=O)N(C)C)OC

InChI

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