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

Systemtic Name: methyl 2-[(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino]-3-methyl-butanoate Openeye Name: methyl 2-[(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino]-3-methyl-butanoate CAS Name: 2-[(3-cyano-4-phenylphenyl)methyl-(1-oxopentyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyano-4-phenylphenyl)methyl-pentanoylamino]-3-methylbutanoate Traditional Name: 2-[(3-cyano-4-phenyl-benzyl)-valeryl-amino]-3-methyl-butyric acid methyl ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3/c1-5-6-12-23(28)27(24(18(2)3)25(29)30-4)17-19-13-14-22(21(15-19)16-26)20-10-8-7-9-11-20/h7-11,13-15,18,24H,5-6,12,17H2,1-4H3