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

Systemtic Name: 4-[[1-(2,2-dicyclohexylethanoyl)piperidin-4-ylidene]methyl]benzoic acid Openeye Name: 4-[[1-(2,2-dicyclohexylacetyl)-4-piperidylidene]methyl]benzoic acid CAS Name: 4-[[1-(2,2-dicyclohexyl-1-oxoethyl)-4-piperidinylidene]methyl]benzoic acid IUPAC Name: 4-[[1-(2,2-dicyclohexylacetyl)piperidin-4-ylidene]methyl]benzoic acid Traditional Name: 4-[[1-(2,2-dicyclohexylacetyl)-4-piperidylidene]methyl]benzoic acid Formula: C27H37NO3 MolecularWeight: 423.58758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO3/c29-26(25(22-7-3-1-4-8-22)23-9-5-2-6-10-23)28-17-15-21(16-18-28)19-20-11-13-24(14-12-20)27(30)31/h11-14,19,22-23,25H,1-10,15-18H2,(H,30,31)