(2S)-2-[(3-chloranyl-4-methoxy-phenyl)carbamoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(3-chloranyl-4-methoxy-phenyl)carbamoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(3-chloro-4-methoxy-phenyl)carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3-chloro-4-methoxyanilino)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-chloro-4-methoxy-phenyl)carbamoylamino]-3-methyl-butyrate Formula: C13H16ClN2O4- MolecularWeight: 299.73014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)NC1=CC(=C(C=C1)OC)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)NC1=CC(=C(C=C1)OC)Cl

InChI

InChI=1S/C13H17ClN2O4/c1-7(2)11(12(17)18)16-13(19)15-8-4-5-10(20-3)9(14)6-8/h4-7,11H,1-3H3,(H,17,18)(H2,15,16,19)/p-1/t11-/m0/s1