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

Systemtic Name: (4-cyanophenyl) (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-cyanophenyl) (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid (4-cyanophenyl) ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O4/c1-4-26-17-11-7-16(8-12-17)20(24)23-19(14(2)3)21(25)27-18-9-5-15(13-22)6-10-18/h5-12,14,19H,4H2,1-3H3,(H,23,24)/t19-/m0/s1