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4-[2-oxidanylidene-4-(2-piperidin-1-ylphenyl)heptyl]benzoic acid

4-[2-oxidanylidene-4-(2-piperidin-1-ylphenyl)heptyl]benzoic acid

Systemtic Name:4-[2-oxidanylidene-4-(2-piperidin-1-ylphenyl)heptyl]benzoic acid
Openeye Name:4-[2-oxo-4-[2-(1-piperidyl)phenyl]heptyl]benzoic acid
CAS Name:4-[2-oxo-4-[2-(1-piperidinyl)phenyl]heptyl]benzoic acid
IUPAC Name:4-[2-oxo-4-(2-piperidin-1-ylphenyl)heptyl]benzoic acid
Traditional Name:4-[2-keto-4-(2-piperidinophenyl)heptyl]benzoic acid
Formula: C25H31NO3
MolecularWeight: 393.51854
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)CC1=CC=C(C=C1)C(=O)O)C2=CC=CC=C2N3CCCCC3


Isomeric SMILES

CCCC(CC(=O)CC1=CC=C(C=C1)C(=O)O)C2=CC=CC=C2N3CCCCC3


InChI

InChI=1S/C25H31NO3/c1-2-8-21(18-22(27)17-19-11-13-20(14-12-19)25(28)29)23-9-4-5-10-24(23)26-15-6-3-7-16-26/h4-5,9-14,21H,2-3,6-8,15-18H2,1H3,(H,28,29)


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