1-(dimethylamino)propan-2-yl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate

Systemtic Name: 1-(dimethylamino)propan-2-yl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate Openeye Name: [2-(dimethylamino)-1-methyl-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-(dimethylamino)propan-2-yl ester IUPAC Name: 1-(dimethylamino)propan-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 [2-(dimethylamino)-1-methyl-ethyl] ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)OC(=O)C1(CCCOC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(CN(C)C)OC(=O)C1(CCCOC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO3/c1-17(16-23(2)3)26-21(24)22(18-10-5-4-6-11-18)14-9-15-25-20-13-8-7-12-19(20)22/h4-8,10-13,17H,9,14-16H2,1-3H3