hexyl 1-(3-phenothiazin-10-ylpropyl)piperidine-3-carboxylate

Systemtic Name: hexyl 1-(3-phenothiazin-10-ylpropyl)piperidine-3-carboxylate Openeye Name: hexyl 1-(3-phenothiazin-10-ylpropyl)piperidine-3-carboxylate CAS Name: 1-[3-(10-phenothiazinyl)propyl]-3-piperidinecarboxylic acid hexyl ester IUPAC Name: hexyl 1-(3-phenothiazin-10-ylpropyl)piperidine-3-carboxylate Traditional Name: 1-(3-phenothiazin-10-ylpropyl)nipecotic acid hexyl ester Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1CCCN(C1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCCCCCOC(=O)C1CCCN(C1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C27H36N2O2S/c1-2-3-4-9-20-31-27(30)22-12-10-17-28(21-22)18-11-19-29-23-13-5-7-15-25(23)32-26-16-8-6-14-24(26)29/h5-8,13-16,22H,2-4,9-12,17-21H2,1H3