ethyl 1-[[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]methyl]cyclopentane-1-carboxylate

Systemtic Name: ethyl 1-[[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]methyl]cyclopentane-1-carboxylate Openeye Name: ethyl 1-[[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]methyl]cyclopentanecarboxylate CAS Name: 1-[[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]methyl]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]methyl]cyclopentane-1-carboxylate Traditional Name: 1-[[[4-(2-cyanophenyl)benzyl]-valeryl-amino]methyl]cyclopentanecarboxylic acid ethyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC3(CCCC3)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC3(CCCC3)C(=O)OCC

InChI

InChI=1S/C28H34N2O3/c1-3-5-12-26(31)30(21-28(17-8-9-18-28)27(32)33-4-2)20-22-13-15-23(16-14-22)25-11-7-6-10-24(25)19-29/h6-7,10-11,13-16H,3-5,8-9,12,17-18,20-21H2,1-2H3