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

Systemtic Name: (phenylmethyl) 2-[[4-(2-cyanophenyl)phenyl]methyl-methoxycarbonyl-amino]-3-methyl-butanoate Openeye Name: benzyl 2-[[4-(2-cyanophenyl)phenyl]methyl-methoxycarbonyl-amino]-3-methyl-butanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-methoxycarbonylamino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(2-cyanophenyl)phenyl]methyl-methoxycarbonylamino]-3-methylbutanoate Traditional Name: 2-[carbomethoxy-[4-(2-cyanophenyl)benzyl]amino]-3-methyl-butyric acid benzyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)N(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OC

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)N(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OC

InChI

InChI=1S/C28H28N2O4/c1-20(2)26(27(31)34-19-22-9-5-4-6-10-22)30(28(32)33-3)18-21-13-15-23(16-14-21)25-12-8-7-11-24(25)17-29/h4-16,20,26H,18-19H2,1-3H3