(2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(cyclopentylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(cyclopentylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-chloro-4-methyl-anilino)-2-(cyclopentylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloro-4-methylanilino)-2-(cyclopentylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(3-chloro-4-methylanilino)-2-(cyclopentylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-chloro-4-methyl-anilino)-2-(cyclopentylammonio)-4-keto-butyrate Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]C2CCCC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]C2CCCC2)Cl

InChI

InChI=1S/C16H21ClN2O3/c1-10-6-7-12(8-13(10)17)19-15(20)9-14(16(21)22)18-11-4-2-3-5-11/h6-8,11,14,18H,2-5,9H2,1H3,(H,19,20)(H,21,22)/t14-/m1/s1