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

Systemtic Name: (3-cyano-4-phenyl-phenyl)methyl 2-[(pentanoylamino)methyl]butanoate Openeye Name: (3-cyano-4-phenyl-phenyl)methyl 2-[(pentanoylamino)methyl]butanoate CAS Name: 2-[(1-oxopentylamino)methyl]butanoic acid (3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (3-cyano-4-phenylphenyl)methyl 2-[(pentanoylamino)methyl]butanoate Traditional Name: 2-[(valerylamino)methyl]butyric acid (3-cyano-4-phenyl-benzyl) ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC(CC)C(=O)OCC1=CC(=C(C=C1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCC(=O)NCC(CC)C(=O)OCC1=CC(=C(C=C1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C24H28N2O3/c1-3-5-11-23(27)26-16-19(4-2)24(28)29-17-18-12-13-22(21(14-18)15-25)20-9-7-6-8-10-20/h6-10,12-14,19H,3-5,11,16-17H2,1-2H3,(H,26,27)