tert-butyl 2-[4-[[(2-chlorophenyl)carbonyl-phenyl-amino]methyl]phenyl]-2-cyclopentyl-ethanoate

Systemtic Name: tert-butyl 2-[4-[[(2-chlorophenyl)carbonyl-phenyl-amino]methyl]phenyl]-2-cyclopentyl-ethanoate Openeye Name: tert-butyl 2-[4-[(N-(2-chlorobenzoyl)anilino)methyl]phenyl]-2-cyclopentyl-acetate CAS Name: 2-[4-[(N-[(2-chlorophenyl)-oxomethyl]anilino)methyl]phenyl]-2-cyclopentylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(N-(2-chlorobenzoyl)anilino)methyl]phenyl]-2-cyclopentylacetate Traditional Name: 2-[4-[(N-(2-chlorobenzoyl)anilino)methyl]phenyl]-2-cyclopentyl-acetic acid tert-butyl ester Formula: C31H34ClNO3 MolecularWeight: 504.05956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1CCCC1)C2=CC=C(C=C2)CN(C3=CC=CC=C3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(C1CCCC1)C2=CC=C(C=C2)CN(C3=CC=CC=C3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C31H34ClNO3/c1-31(2,3)36-30(35)28(23-11-7-8-12-23)24-19-17-22(18-20-24)21-33(25-13-5-4-6-14-25)29(34)26-15-9-10-16-27(26)32/h4-6,9-10,13-20,23,28H,7-8,11-12,21H2,1-3H3