tert-butyl 2-[4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonylamino]phenyl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonylamino]phenyl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 2-[4-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]benzoyl]piperidine-1-carboxylate CAS Name: 2-[[4-[[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-oxomethyl]amino]phenyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]benzoyl]piperidine-1-carboxylate Traditional Name: 2-[4-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carbonyl]amino]benzoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C35H38N2O5 MolecularWeight: 566.68662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)C(=O)C5CCCCN5C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)C(=O)C5CCCCN5C(=O)OC(C)(C)C

InChI

InChI=1S/C35H38N2O5/c1-23-8-10-24(11-9-23)26-14-17-31-28(21-26)22-27(18-20-41-31)33(39)36-29-15-12-25(13-16-29)32(38)30-7-5-6-19-37(30)34(40)42-35(2,3)4/h8-17,21-22,30H,5-7,18-20H2,1-4H3,(H,36,39)