1-(6H-benzo[b][1,5]benzoxathiepin-6-ylmethyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(6H-benzo[b][1,5]benzoxathiepin-6-ylmethyl)piperidine-3-carboxylic acid Openeye Name: 1-(6H-benzo[b][1,5]benzoxathiepin-6-ylmethyl)piperidine-3-carboxylic acid CAS Name: 1-(6H-benzo[b][1,5]benzoxathiepin-6-ylmethyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(6H-benzo[b][1,5]benzoxathiepin-6-ylmethyl)piperidine-3-carboxylic acid Traditional Name: 1-(6H-benzo[b][1,5]benzoxathiepin-6-ylmethyl)nipecotic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2C3=CC=CC=C3OC4=CC=CC=C4S2)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2C3=CC=CC=C3OC4=CC=CC=C4S2)C(=O)O

InChI

InChI=1S/C20H21NO3S/c22-20(23)14-6-5-11-21(12-14)13-19-15-7-1-2-8-16(15)24-17-9-3-4-10-18(17)25-19/h1-4,7-10,14,19H,5-6,11-13H2,(H,22,23)