2-[2-(cyclohexen-1-yl)ethylamino]-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoic acid

Systemtic Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoic acid Openeye Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(4-isopropylanilino)-4-oxo-butanoic acid CAS Name: 2-[2-(1-cyclohexenyl)ethylamino]-4-oxo-4-(4-propan-2-ylanilino)butanoic acid IUPAC Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-oxo-4-(4-propan-2-ylanilino)butanoic acid Traditional Name: 4-cumidino-2-[2-(cyclohexen-1-yl)ethylamino]-4-keto-butyric acid Formula: C21H30N2O3 MolecularWeight: 358.4745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-15(2)17-8-10-18(11-9-17)23-20(24)14-19(21(25)26)22-13-12-16-6-4-3-5-7-16/h6,8-11,15,19,22H,3-5,7,12-14H2,1-2H3,(H,23,24)(H,25,26)