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

Systemtic Name: 4-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid Openeye Name: 4-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid CAS Name: 4-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid Traditional Name: 4-(3,8-dimethyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine-1-carboxylic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-14-3-5-19-16(11-14)13-18(17-12-15(2)4-6-20(17)26-19)22-7-9-23(10-8-22)21(24)25/h3-6,11-12,18H,7-10,13H2,1-2H3,(H,24,25)