ethyl 4-[7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[7-(o-tolyl)-9-(tetrahydrofuran-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate CAS Name: 4-[7-(2-methylphenyl)-9-(3-oxolanylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[7-(o-tolyl)-9-(tetrahydrofuran-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylic acid ethyl ester Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3OCC4CCOC4)C5=CC=CC=C5C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3OCC4CCOC4)C5=CC=CC=C5C

InChI

InChI=1S/C29H38N2O5/c1-3-34-29(32)30-11-8-25(9-12-30)31-13-15-35-28-24(18-31)16-23(26-7-5-4-6-21(26)2)17-27(28)36-20-22-10-14-33-19-22/h4-7,16-17,22,25H,3,8-15,18-20H2,1-2H3