phenyl 2-methylspiro[2,5-dihydro-1,4-benzodioxepine-3,4'-piperidine]-1'-carboxylate

Systemtic Name: phenyl 2-methylspiro[2,5-dihydro-1,4-benzodioxepine-3,4'-piperidine]-1'-carboxylate Openeye Name: phenyl 2-methylspiro[2,5-dihydro-1,4-benzodioxepine-3,4'-piperidine]-1'-carboxylate CAS Name: 2-methyl-1'-spiro[2,5-dihydro-1,4-benzodioxepin-3,4'-piperidine]carboxylic acid phenyl ester IUPAC Name: phenyl 2-methylspiro[2,5-dihydro-1,4-benzodioxepine-3,4'-piperidine]-1'-carboxylate Traditional Name: 2-methylspiro[2,5-dihydro-1,4-benzodioxepin-3,4'-piperidine]-1'-carboxylic acid phenyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2(CCN(CC2)C(=O)OC3=CC=CC=C3)OCC4=CC=CC=C4O1

Isomeric SMILES

CC1C2(CCN(CC2)C(=O)OC3=CC=CC=C3)OCC4=CC=CC=C4O1

InChI

InChI=1S/C21H23NO4/c1-16-21(24-15-17-7-5-6-10-19(17)25-16)11-13-22(14-12-21)20(23)26-18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3