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

Systemtic Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxo-butanoic acid CAS Name: 2-[2-(1-cyclohexenyl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid Traditional Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-keto-butyric acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CC(C(=O)O)NCCC2=CCCCC2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CC(C(=O)O)NCCC2=CCCCC2

InChI

InChI=1S/C20H28N2O5/c1-26-15-8-9-18(27-2)16(12-15)22-19(23)13-17(20(24)25)21-11-10-14-6-4-3-5-7-14/h6,8-9,12,17,21H,3-5,7,10-11,13H2,1-2H3,(H,22,23)(H,24,25)