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

Systemtic Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]butanoate Openeye Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]butanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]butanoate Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]-valeryl-amino]butyric acid methyl ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(CC)C(=O)OC

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(CC)C(=O)OC

InChI

InChI=1S/C24H28N2O3/c1-4-6-11-23(27)26(22(5-2)24(28)29-3)17-18-12-14-19(15-13-18)21-10-8-7-9-20(21)16-25/h7-10,12-15,22H,4-6,11,17H2,1-3H3