4-[(3,4-dimethylphenyl)amino]-2-[2-(4-methoxyphenyl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3,4-dimethylphenyl)amino]-2-[2-(4-methoxyphenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,4-dimethylanilino)-2-[2-(4-methoxyphenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-(3,4-dimethylanilino)-2-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-(3,4-dimethylanilino)-2-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-(3,4-dimethylanilino)-4-keto-2-[2-(4-methoxyphenyl)ethylamino]butyric acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C21H26N2O4/c1-14-4-7-17(12-15(14)2)23-20(24)13-19(21(25)26)22-11-10-16-5-8-18(27-3)9-6-16/h4-9,12,19,22H,10-11,13H2,1-3H3,(H,23,24)(H,25,26)