2-(3-methylbutylamino)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoic acid

Systemtic Name: 2-(3-methylbutylamino)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoic acid Openeye Name: 2-(isopentylamino)-4-(4-isopropylanilino)-4-oxo-butanoic acid CAS Name: 2-(3-methylbutylamino)-4-oxo-4-(4-propan-2-ylanilino)butanoic acid IUPAC Name: 2-(3-methylbutylamino)-4-oxo-4-(4-propan-2-ylanilino)butanoic acid Traditional Name: 4-cumidino-2-(isoamylamino)-4-keto-butyric acid Formula: C18H28N2O3 MolecularWeight: 320.42652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(CC(=O)NC1=CC=C(C=C1)C(C)C)C(=O)O

Isomeric SMILES

CC(C)CCNC(CC(=O)NC1=CC=C(C=C1)C(C)C)C(=O)O

InChI

InChI=1S/C18H28N2O3/c1-12(2)9-10-19-16(18(22)23)11-17(21)20-15-7-5-14(6-8-15)13(3)4/h5-8,12-13,16,19H,9-11H2,1-4H3,(H,20,21)(H,22,23)