1-piperidin-1-ylpropan-2-yl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate

Systemtic Name: 1-piperidin-1-ylpropan-2-yl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate Openeye Name: [1-methyl-2-(1-piperidyl)ethyl] 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate CAS Name: 5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-carboxylic acid 1-(1-piperidinyl)propan-2-yl ester IUPAC Name: 1-piperidin-1-ylpropan-2-yl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate Traditional Name: 5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-carboxylic acid (1-methyl-2-piperidino-ethyl) ester Formula: C25H31NO3 MolecularWeight: 393.51854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCCC1)OC(=O)C2(CCCOC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(CN1CCCCC1)OC(=O)C2(CCCOC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H31NO3/c1-20(19-26-16-8-3-9-17-26)29-24(27)25(21-11-4-2-5-12-21)15-10-18-28-23-14-7-6-13-22(23)25/h2,4-7,11-14,20H,3,8-10,15-19H2,1H3