(2R)-4-[(4-chlorophenyl)amino]-2-(cyclopentylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-chlorophenyl)amino]-2-(cyclopentylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-chloroanilino)-2-(cyclopentylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-chloroanilino)-2-(cyclopentylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-chloroanilino)-2-(cyclopentylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-chloroanilino)-2-(cyclopentylammonio)-4-keto-butyrate Formula: C15H19ClN2O3 MolecularWeight: 310.77596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH2+]C(CC(=O)NC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH2+][C@H](CC(=O)NC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C15H19ClN2O3/c16-10-5-7-12(8-6-10)18-14(19)9-13(15(20)21)17-11-3-1-2-4-11/h5-8,11,13,17H,1-4,9H2,(H,18,19)(H,20,21)/t13-/m1/s1