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

Systemtic Name: tert-butyl 4-[3-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonylamino]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]propyl]piperidine-1-carboxylate CAS Name: 4-[3-[[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-oxomethyl]amino]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carbonyl]amino]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NCCCC4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NCCCC4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H40N2O4/c1-22-7-9-24(10-8-22)25-11-12-28-27(20-25)21-26(15-19-36-28)29(34)32-16-5-6-23-13-17-33(18-14-23)30(35)37-31(2,3)4/h7-12,20-21,23H,5-6,13-19H2,1-4H3,(H,32,34)