(5-ethanoyl-2-ethoxy-phenyl)methyl (2S)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl (2S)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butyric acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C23H26ClNO5 MolecularWeight: 431.90924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C23H26ClNO5/c1-5-29-20-11-10-16(15(4)26)12-17(20)13-30-23(28)21(14(2)3)25-22(27)18-8-6-7-9-19(18)24/h6-12,14,21H,5,13H2,1-4H3,(H,25,27)/t21-/m0/s1