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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-4-5-6-11-19-16(18(22)23)12-17(21)20-15-9-7-14(8-10-15)13(2)3/h7-10,13,16,19H,4-6,11-12H2,1-3H3,(H,20,21)(H,22,23)