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

Systemtic Name: 4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate Openeye Name: 4-(3-chloroanilino)-2-(3-isopropoxypropylammonio)-4-oxo-butanoate CAS Name: 4-(3-chloroanilino)-4-oxo-2-(3-propan-2-yloxypropylammonio)butanoate IUPAC Name: 4-(3-chloroanilino)-4-oxo-2-(3-propan-2-yloxypropylazaniumyl)butanoate Traditional Name: 4-(3-chloroanilino)-2-(3-isopropoxypropylammonio)-4-keto-butyrate Formula: C16H23ClN2O4 MolecularWeight: 342.81782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O4/c1-11(2)23-8-4-7-18-14(16(21)22)10-15(20)19-13-6-3-5-12(17)9-13/h3,5-6,9,11,14,18H,4,7-8,10H2,1-2H3,(H,19,20)(H,21,22)