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

Systemtic Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]pentanoate Openeye Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]pentanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]pentanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]pentanoate Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]-valeryl-amino]valeric 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=C2C#N)C(CCC)C(=O)OC

Isomeric SMILES

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

InChI

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