3-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(8-methyl-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)piperazino]propionic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-15-6-7-18-16(14-15)21(22-17-4-2-3-5-19(17)27-18)24-12-10-23(11-13-24)9-8-20(25)26/h2-7,14H,8-13H2,1H3,(H,25,26)