2-[2-(cyclohexen-1-yl)ethylamino]-4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(3,5-dimethylanilino)-4-oxo-butanoic acid CAS Name: 2-[2-(1-cyclohexenyl)ethylamino]-4-(3,5-dimethylanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(3,5-dimethylanilino)-4-oxobutanoic acid Traditional Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(3,5-dimethylanilino)-4-keto-butyric acid Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CC(C(=O)O)NCCC2=CCCCC2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CC(C(=O)O)NCCC2=CCCCC2)C

InChI

InChI=1S/C20H28N2O3/c1-14-10-15(2)12-17(11-14)22-19(23)13-18(20(24)25)21-9-8-16-6-4-3-5-7-16/h6,10-12,18,21H,3-5,7-9,13H2,1-2H3,(H,22,23)(H,24,25)