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

Systemtic Name: (2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate Openeye Name: (2R)-4-(3-chloro-4-methyl-anilino)-2-(3-isopropoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloro-4-methylanilino)-4-oxo-2-(3-propan-2-yloxypropylammonio)butanoate IUPAC Name: (2R)-4-(3-chloro-4-methylanilino)-4-oxo-2-(3-propan-2-yloxypropylazaniumyl)butanoate Traditional Name: (2R)-4-(3-chloro-4-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=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCCOC(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O4/c1-11(2)24-8-4-7-19-15(17(22)23)10-16(21)20-13-6-5-12(3)14(18)9-13/h5-6,9,11,15,19H,4,7-8,10H2,1-3H3,(H,20,21)(H,22,23)/t15-/m1/s1