4-(9-methoxy-3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(9-methoxy-3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid Openeye Name: 4-(9-methoxy-3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid CAS Name: 4-(9-methoxy-3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(9-methoxy-3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid Traditional Name: 4-(9-methoxy-3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(CC2N4CCN(CC4)C(=O)O)C=CC(=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(CC2N4CCN(CC4)C(=O)O)C=CC(=C3)OC

InChI

InChI=1S/C21H24N2O4/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/h3-6,11,13,18H,7-10,12H2,1-2H3,(H,24,25)