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

Systemtic Name: tert-butyl 4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carbonyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H34N2O4/c1-19-5-7-20(8-6-19)21-9-10-25-23(17-21)18-22(13-16-33-25)26(31)29-24-11-14-30(15-12-24)27(32)34-28(2,3)4/h5-10,17-18,24H,11-16H2,1-4H3,(H,29,31)