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

Systemtic Name: tert-butyl 4-[2-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonylamino]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-oxomethyl]amino]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carbonyl]amino]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NCCC4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NCCC4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H38N2O4/c1-21-5-7-23(8-6-21)24-9-10-27-26(19-24)20-25(14-18-35-27)28(33)31-15-11-22-12-16-32(17-13-22)29(34)36-30(2,3)4/h5-10,19-20,22H,11-18H2,1-4H3,(H,31,33)