(phenylmethyl) 2-[[4-(2-cyanophenyl)phenyl]methyl-(2-pentanoylphenyl)amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[4-(2-cyanophenyl)phenyl]methyl-(2-pentanoylphenyl)amino]ethanoate Openeye Name: benzyl 2-[N-[[4-(2-cyanophenyl)phenyl]methyl]-2-pentanoyl-anilino]acetate CAS Name: 2-[N-[[4-(2-cyanophenyl)phenyl]methyl]-2-(1-oxopentyl)anilino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[N-[[4-(2-cyanophenyl)phenyl]methyl]-2-pentanoylanilino]acetate Traditional Name: 2-(N-[4-(2-cyanophenyl)benzyl]-2-valeryl-anilino)acetic acid benzyl ester Formula: C34H32N2O3 MolecularWeight: 516.62948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=CC=C1N(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC(=O)C1=CC=CC=C1N(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C34H32N2O3/c1-2-3-17-33(37)31-15-9-10-16-32(31)36(24-34(38)39-25-27-11-5-4-6-12-27)23-26-18-20-28(21-19-26)30-14-8-7-13-29(30)22-35/h4-16,18-21H,2-3,17,23-25H2,1H3