methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-3-methyl-pentanoate Openeye Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-3-methyl-pentanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylpentanoate Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]-valeryl-amino]-3-methyl-valeric acid methyl ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3/c1-5-7-12-24(29)28(25(19(3)6-2)26(30)31-4)18-20-13-15-21(16-14-20)23-11-9-8-10-22(23)17-27/h8-11,13-16,19,25H,5-7,12,18H2,1-4H3