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

Systemtic Name: ethyl 2-[[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]methyl]-2-ethyl-butanoate Openeye Name: ethyl 2-[[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]methyl]-2-ethyl-butanoate CAS Name: 2-[[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]methyl]-2-ethylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]methyl]-2-ethylbutanoate Traditional Name: 2-[[[4-(2-cyanophenyl)benzyl]-valeryl-amino]methyl]-2-ethyl-butyric acid ethyl ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O3/c1-5-9-14-26(31)30(21-28(6-2,7-3)27(32)33-8-4)20-22-15-17-23(18-16-22)25-13-11-10-12-24(25)19-29/h10-13,15-18H,5-9,14,20-21H2,1-4H3