methyl (2R)-1-[[4-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-2-carboxylate

Systemtic Name: methyl (2R)-1-[[4-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-2-carboxylate Openeye Name: methyl (2R)-1-[[4-(2-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-2-carboxylate CAS Name: (2R)-1-[[4-(2-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[4-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[[4-(2-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]pipecolinic acid methyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=CC=N4

Isomeric SMILES

COC(=O)[C@H]1CCCCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=CC=N4

InChI

InChI=1S/C23H29N3O3/c1-28-23(27)21-7-3-5-11-26(21)15-18-8-9-22-19(14-18)16-25(12-13-29-22)17-20-6-2-4-10-24-20/h2,4,6,8-10,14,21H,3,5,7,11-13,15-17H2,1H3/t21-/m1/s1