4-(3-fluoranyl-8-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(3-fluoranyl-8-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid Openeye Name: 4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid CAS Name: 4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid Traditional Name: 4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid Formula: C20H21FN2O3 MolecularWeight: 356.390743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)F)C(C2)N4CCN(CC4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)F)C(C2)N4CCN(CC4)C(=O)O

InChI

InChI=1S/C20H21FN2O3/c1-13-2-4-18-14(10-13)11-17(16-12-15(21)3-5-19(16)26-18)22-6-8-23(9-7-22)20(24)25/h2-5,10,12,17H,6-9,11H2,1H3,(H,24,25)