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

Systemtic Name: (2R)-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate Openeye Name: (2R)-4-(3-chloro-2-methyl-anilino)-2-(3-isopropoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloro-2-methylanilino)-4-oxo-2-(3-propan-2-yloxypropylammonio)butanoate IUPAC Name: (2R)-4-(3-chloro-2-methylanilino)-4-oxo-2-(3-propan-2-yloxypropylazaniumyl)butanoate Traditional Name: (2R)-4-(3-chloro-2-methyl-anilino)-2-(3-isopropoxypropylammonio)-4-keto-butyrate Formula: C17H25ClN2O4 MolecularWeight: 356.8444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)[O-])[NH2+]CCCOC(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCOC(C)C

InChI

InChI=1S/C17H25ClN2O4/c1-11(2)24-9-5-8-19-15(17(22)23)10-16(21)20-14-7-4-6-13(18)12(14)3/h4,6-7,11,15,19H,5,8-10H2,1-3H3,(H,20,21)(H,22,23)/t15-/m1/s1