2-[(2R)-4-(3-chloranylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]-5-methyl-5-oxidanyl-hexanoic acid

Systemtic Name: 2-[(2R)-4-(3-chloranylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]-5-methyl-5-oxidanyl-hexanoic acid Openeye Name: 2-[(2R)-4-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]-5-hydroxy-5-methyl-hexanoic acid CAS Name: 2-[(2R)-4-(3-chloro-6-benzo[b][1,4]benzoxazepinyl)-2-piperazinyl]-5-hydroxy-5-methylhexanoic acid IUPAC Name: 2-[(2R)-4-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]-5-hydroxy-5-methylhexanoic acid Traditional Name: 2-[(2R)-4-(3-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-2-yl]-5-hydroxy-5-methyl-hexanoic acid Formula: C24H28ClN3O4 MolecularWeight: 457.94982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C42)C(=O)O)O

Isomeric SMILES

CC(C)(CCC([C@@H]1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C42)C(=O)O)O

InChI

InChI=1S/C24H28ClN3O4/c1-24(2,31)10-9-16(23(29)30)19-14-28(12-11-26-19)22-17-5-3-4-6-20(17)32-21-8-7-15(25)13-18(21)27-22/h3-8,13,16,19,26,31H,9-12,14H2,1-2H3,(H,29,30)/t16?,19-/m0/s1