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

Systemtic Name: 4-[(2-chlorophenyl)amino]-4-oxidanylidene-2-(pentylamino)butanoic acid Openeye Name: 4-(2-chloroanilino)-4-oxo-2-(pentylamino)butanoic acid CAS Name: 4-(2-chloroanilino)-4-oxo-2-(pentylamino)butanoic acid IUPAC Name: 4-(2-chloroanilino)-4-oxo-2-(pentylamino)butanoic acid Traditional Name: 2-(amylamino)-4-(2-chloroanilino)-4-keto-butyric acid Formula: C15H21ClN2O3 MolecularWeight: 312.79184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(CC(=O)NC1=CC=CC=C1Cl)C(=O)O

Isomeric SMILES

CCCCCNC(CC(=O)NC1=CC=CC=C1Cl)C(=O)O

InChI

InChI=1S/C15H21ClN2O3/c1-2-3-6-9-17-13(15(20)21)10-14(19)18-12-8-5-4-7-11(12)16/h4-5,7-8,13,17H,2-3,6,9-10H2,1H3,(H,18,19)(H,20,21)