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

Systemtic Name: 1-ethyl-2-[(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]piperidine-3-carboxylic acid Openeye Name: 1-ethyl-2-[(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]piperidine-3-carboxylic acid CAS Name: 1-ethyl-2-[(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-3-piperidinecarboxylic acid IUPAC Name: 1-ethyl-2-[(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]piperidine-3-carboxylic acid Traditional Name: 1-ethyl-2-[(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]nipecotic acid Formula: C23H27NO3S MolecularWeight: 397.53038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO3S/c1-3-24-12-6-8-18(23(25)26)22(24)27-19-14-16-13-15(2)10-11-20(16)28-21-9-5-4-7-17(19)21/h4-5,7,9-11,13,18-19,22H,3,6,8,12,14H2,1-2H3,(H,25,26)