5-[3-[2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-1-piperidyl]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxo-1-piperidinyl]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-piperidino]propyl]-2-thenoic acid Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CCCC2=CC=C(S2)C(=O)O)C=CC(CC3=CC=CC=C3)O

Isomeric SMILES

C1CC(N(C(=O)C1)CCCC2=CC=C(S2)C(=O)O)/C=C/C(CC3=CC=CC=C3)O

InChI

InChI=1S/C23H27NO4S/c25-19(16-17-6-2-1-3-7-17)12-11-18-8-4-10-22(26)24(18)15-5-9-20-13-14-21(29-20)23(27)28/h1-3,6-7,11-14,18-19,25H,4-5,8-10,15-16H2,(H,27,28)/b12-11+