(4-chloranyl-2-methyl-phenyl) (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-chloro-2-methyl-phenyl) (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid (4-chloro-2-methyl-phenyl) ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C21H24ClNO4/c1-5-26-18-9-7-6-8-16(18)20(24)23-19(13(2)3)21(25)27-17-11-10-15(22)12-14(17)4/h6-13,19H,5H2,1-4H3,(H,23,24)/t19-/m0/s1