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

Systemtic Name: tert-butyl 4-[[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carbonyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NCC4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NCC4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H36N2O4/c1-20-5-7-22(8-6-20)23-9-10-26-25(17-23)18-24(13-16-34-26)27(32)30-19-21-11-14-31(15-12-21)28(33)35-29(2,3)4/h5-10,17-18,21H,11-16,19H2,1-4H3,(H,30,32)