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

Systemtic Name: 4-[[5-[(E)-4-(dimethylamino)-4-oxidanylidene-but-1-enyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-[(E)-4-(dimethylamino)-4-oxo-but-1-enyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[(E)-4-(dimethylamino)-4-oxobut-1-enyl]-1-propyl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-[(E)-4-(dimethylamino)-4-oxobut-1-enyl]-1-propylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-[(E)-4-(dimethylamino)-4-keto-but-1-enyl]-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-5-13-28-17-21(15-19-10-11-20(26(30)31)16-24(19)32-4)22-14-18(9-12-23(22)28)7-6-8-25(29)27(2)3/h6-7,9-12,14,16-17H,5,8,13,15H2,1-4H3,(H,30,31)/b7-6+