3-[[1-(2,2-dicyclohexylethanoyl)piperidin-4-ylidene]methyl]benzoic acid

Systemtic Name: 3-[[1-(2,2-dicyclohexylethanoyl)piperidin-4-ylidene]methyl]benzoic acid Openeye Name: 3-[[1-(2,2-dicyclohexylacetyl)-4-piperidylidene]methyl]benzoic acid CAS Name: 3-[[1-(2,2-dicyclohexyl-1-oxoethyl)-4-piperidinylidene]methyl]benzoic acid IUPAC Name: 3-[[1-(2,2-dicyclohexylacetyl)piperidin-4-ylidene]methyl]benzoic acid Traditional Name: 3-[[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(=CC=C4)C(=O)O)CC3

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO3/c29-26(25(22-9-3-1-4-10-22)23-11-5-2-6-12-23)28-16-14-20(15-17-28)18-21-8-7-13-24(19-21)27(30)31/h7-8,13,18-19,22-23,25H,1-6,9-12,14-17H2,(H,30,31)