(3-cyano-4-phenyl-phenyl)methyl 3-methyl-2-[pentanoyl-(phenylmethyl)amino]butanoate

Systemtic Name: (3-cyano-4-phenyl-phenyl)methyl 3-methyl-2-[pentanoyl-(phenylmethyl)amino]butanoate Openeye Name: (3-cyano-4-phenyl-phenyl)methyl 2-[benzyl(pentanoyl)amino]-3-methyl-butanoate CAS Name: 3-methyl-2-[1-oxopentyl-(phenylmethyl)amino]butanoic acid (3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (3-cyano-4-phenylphenyl)methyl 2-[benzyl(pentanoyl)amino]-3-methylbutanoate Traditional Name: 2-[benzyl(valeryl)amino]-3-methyl-butyric acid (3-cyano-4-phenyl-benzyl) ester Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=CC=C1)C(C(C)C)C(=O)OCC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC(=O)N(CC1=CC=CC=C1)C(C(C)C)C(=O)OCC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C31H34N2O3/c1-4-5-16-29(34)33(21-24-12-8-6-9-13-24)30(23(2)3)31(35)36-22-25-17-18-28(27(19-25)20-32)26-14-10-7-11-15-26/h6-15,17-19,23,30H,4-5,16,21-22H2,1-3H3