5-[(E)-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]-4-indol-1-yl-3-methoxy-2-methyl-benzoic acid

Systemtic Name: 5-[(E)-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]-4-indol-1-yl-3-methoxy-2-methyl-benzoic acid Openeye Name: 5-[(E)-3-(dimethylamino)-3-oxo-prop-1-enyl]-4-indol-1-yl-3-methoxy-2-methyl-benzoic acid CAS Name: 5-[(E)-3-(dimethylamino)-3-oxoprop-1-enyl]-4-(1-indolyl)-3-methoxy-2-methylbenzoic acid IUPAC Name: 5-[(E)-3-(dimethylamino)-3-oxoprop-1-enyl]-4-indol-1-yl-3-methoxy-2-methylbenzoic acid Traditional Name: 5-[(E)-3-(dimethylamino)-3-keto-prop-1-enyl]-4-indol-1-yl-3-methoxy-2-methyl-benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)C=CC(=O)N(C)C)N2C=CC3=CC=CC=C32)OC

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)/C=C/C(=O)N(C)C)N2C=CC3=CC=CC=C32)OC

InChI

InChI=1S/C22H22N2O4/c1-14-17(22(26)27)13-16(9-10-19(25)23(2)3)20(21(14)28-4)24-12-11-15-7-5-6-8-18(15)24/h5-13H,1-4H3,(H,26,27)/b10-9+