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4-[3-(3-tert-butyl-4-piperidin-1-yl-phenyl)-3-oxidanyl-prop-1-ynyl]benzoic acid

4-[3-(3-tert-butyl-4-piperidin-1-yl-phenyl)-3-oxidanyl-prop-1-ynyl]benzoic acid

Systemtic Name:4-[3-(3-tert-butyl-4-piperidin-1-yl-phenyl)-3-oxidanyl-prop-1-ynyl]benzoic acid
Openeye Name:4-[3-[3-tert-butyl-4-(1-piperidyl)phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid
CAS Name:4-[3-[3-tert-butyl-4-(1-piperidinyl)phenyl]-3-hydroxyprop-1-ynyl]benzoic acid
IUPAC Name:4-[3-(3-tert-butyl-4-piperidin-1-ylphenyl)-3-hydroxyprop-1-ynyl]benzoic acid
Traditional Name:4-[3-(3-tert-butyl-4-piperidino-phenyl)-3-hydroxy-prop-1-ynyl]benzoic acid
Formula: C25H29NO3
MolecularWeight: 391.50266
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(C#CC2=CC=C(C=C2)C(=O)O)O)N3CCCCC3


Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(C#CC2=CC=C(C=C2)C(=O)O)O)N3CCCCC3


InChI

InChI=1S/C25H29NO3/c1-25(2,3)21-17-20(12-13-22(21)26-15-5-4-6-16-26)23(27)14-9-18-7-10-19(11-8-18)24(28)29/h7-8,10-13,17,23,27H,4-6,15-16H2,1-3H3,(H,28,29)


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