4-[1-but-3-enyl-3-(3-methoxyphenyl)piperidin-3-yl]benzoic acid

Systemtic Name: 4-[1-but-3-enyl-3-(3-methoxyphenyl)piperidin-3-yl]benzoic acid Openeye Name: 4-[1-but-3-enyl-3-(3-methoxyphenyl)-3-piperidyl]benzoic acid CAS Name: 4-[1-but-3-enyl-3-(3-methoxyphenyl)-3-piperidinyl]benzoic acid IUPAC Name: 4-[1-but-3-enyl-3-(3-methoxyphenyl)piperidin-3-yl]benzoic acid Traditional Name: 4-[1-but-3-enyl-3-(3-methoxyphenyl)-3-piperidyl]benzoic acid Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCCN(C2)CCC=C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCCN(C2)CCC=C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H27NO3/c1-3-4-14-24-15-6-13-23(17-24,20-7-5-8-21(16-20)27-2)19-11-9-18(10-12-19)22(25)26/h3,5,7-12,16H,1,4,6,13-15,17H2,2H3,(H,25,26)