(2-chloranyl-5-methyl-phenyl) (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-chloro-5-methyl-phenyl) (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid (2-chloro-5-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=CC(=C2)C)Cl

Isomeric SMILES

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

InChI

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