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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C)OCC2

Isomeric SMILES

CCCN(C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C)OCC2

InChI

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