(phenylmethyl) 2-[[4-(2-cyanophenyl)phenyl]methyl-ethoxycarbonyl-amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[4-(2-cyanophenyl)phenyl]methyl-ethoxycarbonyl-amino]-3-methyl-butanoate Openeye Name: benzyl 2-[[4-(2-cyanophenyl)phenyl]methyl-ethoxycarbonyl-amino]-3-methyl-butanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-ethoxycarbonylamino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(2-cyanophenyl)phenyl]methyl-ethoxycarbonylamino]-3-methylbutanoate Traditional Name: 2-[carbethoxy-[4-(2-cyanophenyl)benzyl]amino]-3-methyl-butyric acid benzyl ester Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(C(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(C(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H30N2O4/c1-4-34-29(33)31(27(21(2)3)28(32)35-20-23-10-6-5-7-11-23)19-22-14-16-24(17-15-22)26-13-9-8-12-25(26)18-30/h5-17,21,27H,4,19-20H2,1-3H3