methyl 4-[[7-[(4-oxidanyl-4-pyridin-3-yl-piperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate

Systemtic Name: methyl 4-[[7-[(4-oxidanyl-4-pyridin-3-yl-piperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate Openeye Name: methyl 4-[[7-[[4-hydroxy-4-(3-pyridyl)-1-piperidyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate CAS Name: 4-[[7-[[4-hydroxy-4-(3-pyridinyl)-1-piperidinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-[(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate Traditional Name: 4-[[7-[[4-hydroxy-4-(3-pyridyl)piperidino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)(C5=CN=CC=C5)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)(C5=CN=CC=C5)O

InChI

InChI=1S/C29H33N3O4/c1-35-28(33)24-7-4-22(5-8-24)19-32-15-16-36-27-9-6-23(17-25(27)21-32)20-31-13-10-29(34,11-14-31)26-3-2-12-30-18-26/h2-9,12,17-18,34H,10-11,13-16,19-21H2,1H3