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

Systemtic Name: tert-butyl 2-[4-[[(2-chlorophenyl)methyl-phenyl-amino]methyl]-2-cyclopentyl-phenyl]ethanoate Openeye Name: tert-butyl 2-[4-[[N-[(2-chlorophenyl)methyl]anilino]methyl]-2-cyclopentyl-phenyl]acetate CAS Name: 2-[4-[[N-[(2-chlorophenyl)methyl]anilino]methyl]-2-cyclopentylphenyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[N-[(2-chlorophenyl)methyl]anilino]methyl]-2-cyclopentylphenyl]acetate Traditional Name: 2-[4-[(N-(2-chlorobenzyl)anilino)methyl]-2-cyclopentyl-phenyl]acetic acid tert-butyl ester Formula: C31H36ClNO2 MolecularWeight: 490.07604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=C(C=C(C=C1)CN(CC2=CC=CC=C2Cl)C3=CC=CC=C3)C4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)CC1=C(C=C(C=C1)CN(CC2=CC=CC=C2Cl)C3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C31H36ClNO2/c1-31(2,3)35-30(34)20-25-18-17-23(19-28(25)24-11-7-8-12-24)21-33(27-14-5-4-6-15-27)22-26-13-9-10-16-29(26)32/h4-6,9-10,13-19,24H,7-8,11-12,20-22H2,1-3H3