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

Systemtic Name: 4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylic acid Openeye Name: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylic acid CAS Name: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylic acid Traditional Name: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)piperazine-1-carboxylic acid Formula: C19H19ClN2O3 MolecularWeight: 358.81876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3=C(C=CC(=C3)Cl)OC4=CC=CC=C24)C(=O)O

Isomeric SMILES

C1CN(CCN1C2CC3=C(C=CC(=C3)Cl)OC4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C19H19ClN2O3/c20-14-5-6-17-13(11-14)12-16(15-3-1-2-4-18(15)25-17)21-7-9-22(10-8-21)19(23)24/h1-6,11,16H,7-10,12H2,(H,23,24)