4-[(3-chlorophenyl)amino]-2-(3-methylbutylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3-chlorophenyl)amino]-2-(3-methylbutylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: 4-(3-chloroanilino)-2-(isopentylammonio)-4-oxo-butanoate CAS Name: 4-(3-chloroanilino)-2-(3-methylbutylammonio)-4-oxobutanoate IUPAC Name: 4-(3-chloroanilino)-2-(3-methylbutylazaniumyl)-4-oxobutanoate Traditional Name: 4-(3-chloroanilino)-2-(isoamylammonio)-4-keto-butyrate Formula: C15H21ClN2O3 MolecularWeight: 312.79184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]C(CC(=O)NC1=CC(=CC=C1)Cl)C(=O)[O-]

Isomeric SMILES

CC(C)CC[NH2+]C(CC(=O)NC1=CC(=CC=C1)Cl)C(=O)[O-]

InChI

InChI=1S/C15H21ClN2O3/c1-10(2)6-7-17-13(15(20)21)9-14(19)18-12-5-3-4-11(16)8-12/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,18,19)(H,20,21)