2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-1-ethyl-piperidine-3-carboxylic acid

Systemtic Name: 2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-1-ethyl-piperidine-3-carboxylic acid Openeye Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-1-ethyl-piperidine-3-carboxylic acid CAS Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-1-ethyl-3-piperidinecarboxylic acid IUPAC Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-1-ethylpiperidine-3-carboxylic acid Traditional Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-1-ethyl-nipecotic acid Formula: C22H24ClNO3S MolecularWeight: 417.94886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1OC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)C(=O)O

Isomeric SMILES

CCN1CCCC(C1OC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C22H24ClNO3S/c1-2-24-11-5-7-17(22(25)26)21(24)27-18-13-14-12-15(23)9-10-19(14)28-20-8-4-3-6-16(18)20/h3-4,6,8-10,12,17-18,21H,2,5,7,11,13H2,1H3,(H,25,26)