[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl] (2R)-2-benzamido-3-methyl-butanoate CAS Name: (2R)-2-benzamido-3-methylbutanoic acid [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate Traditional Name: (2R)-2-benzamido-3-methyl-butyric acid [2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)OC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)OC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23ClN2O5/c1-13(2)19(24-20(26)14-7-5-4-6-8-14)21(27)29-12-18(25)23-16-11-15(22)9-10-17(16)28-3/h4-11,13,19H,12H2,1-3H3,(H,23,25)(H,24,26)/t19-/m1/s1