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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1CCCC1(CNCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OCC

Isomeric SMILES

CCCCC(=O)C1CCCC1(CNCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OCC

InChI

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