2-[4-[[1-(2,2-dicyclohexylethanoyl)piperidin-4-ylidene]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[1-(2,2-dicyclohexylethanoyl)piperidin-4-ylidene]methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[1-(2,2-dicyclohexylacetyl)-4-piperidylidene]methyl]phenyl]acetic acid CAS Name: 2-[4-[[1-(2,2-dicyclohexyl-1-oxoethyl)-4-piperidinylidene]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[1-(2,2-dicyclohexylacetyl)piperidin-4-ylidene]methyl]phenyl]acetic acid Traditional Name: 2-[4-[[1-(2,2-dicyclohexylacetyl)-4-piperidylidene]methyl]phenyl]acetic acid Formula: C28H39NO3 MolecularWeight: 437.61416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CCCCC2)C(=O)N3CCC(=CC4=CC=C(C=C4)CC(=O)O)CC3

Isomeric SMILES

C1CCC(CC1)C(C2CCCCC2)C(=O)N3CCC(=CC4=CC=C(C=C4)CC(=O)O)CC3

InChI

InChI=1S/C28H39NO3/c30-26(31)20-22-13-11-21(12-14-22)19-23-15-17-29(18-16-23)28(32)27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h11-14,19,24-25,27H,1-10,15-18,20H2,(H,30,31)