5-[1-(3-thioxanthen-9-ylidenepropyl)piperidin-4-yl]pentanoic acid

Systemtic Name: 5-[1-(3-thioxanthen-9-ylidenepropyl)piperidin-4-yl]pentanoic acid Openeye Name: 5-[1-(3-thioxanthen-9-ylidenepropyl)-4-piperidyl]pentanoic acid CAS Name: 5-[1-[3-(9-thioxanthenylidene)propyl]-4-piperidinyl]pentanoic acid IUPAC Name: 5-[1-(3-thioxanthen-9-ylidenepropyl)piperidin-4-yl]pentanoic acid Traditional Name: 5-[1-(3-thioxanthen-9-ylidenepropyl)-4-piperidyl]valeric acid Formula: C26H31NO2S MolecularWeight: 421.59484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCCC(=O)O)CCC=C2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C1CN(CCC1CCCCC(=O)O)CCC=C2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C26H31NO2S/c28-26(29)14-6-1-8-20-15-18-27(19-16-20)17-7-11-21-22-9-2-4-12-24(22)30-25-13-5-3-10-23(21)25/h2-5,9-13,20H,1,6-8,14-19H2,(H,28,29)