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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C25H31NO6 MolecularWeight: 441.51674

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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=C2OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2OCC

InChI

InChI=1S/C25H31NO6/c1-6-30-21-13-12-18(17(5)27)14-19(21)15-32-25(29)23(16(3)4)26-24(28)20-10-8-9-11-22(20)31-7-2/h8-14,16,23H,6-7,15H2,1-5H3,(H,26,28)/t23-/m0/s1