4-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]butanoic acid

Systemtic Name: 4-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]butanoic acid Openeye Name: 4-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]butanoic acid CAS Name: 4-[4-(8-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]butanoic acid IUPAC Name: 4-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]butanoic acid Traditional Name: 4-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]butyric acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)CCCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)CCCC(=O)O

InChI

InChI=1S/C22H25N3O3/c1-16-8-9-19-17(15-16)22(23-18-5-2-3-6-20(18)28-19)25-13-11-24(12-14-25)10-4-7-21(26)27/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,26,27)