4-(9-methoxy-3-methyl-benzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(9-methoxy-3-methyl-benzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid Openeye Name: 4-(9-methoxy-3-methyl-benzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid CAS Name: 4-(9-methoxy-3-methyl-5-benzo[b][1]benzoxepinyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(9-methoxy-3-methylbenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid Traditional Name: 4-(9-methoxy-3-methyl-benzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)OC)C=C2N4CCN(CC4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=CC(=C3)OC)C=C2N4CCN(CC4)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-14-3-6-19-17(11-14)18(22-7-9-23(10-8-22)21(24)25)12-15-4-5-16(26-2)13-20(15)27-19/h3-6,11-13H,7-10H2,1-2H3,(H,24,25)