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

Systemtic Name: 4-[[1-(2,2-dicyclohexylethanoyl)piperidin-4-ylidene]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-(2,2-dicyclohexylacetyl)-4-piperidylidene]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[1-(2,2-dicyclohexyl-1-oxoethyl)-4-piperidinylidene]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-(2,2-dicyclohexylacetyl)piperidin-4-ylidene]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-(2,2-dicyclohexylacetyl)-4-piperidylidene]methyl]-3-methoxy-benzoic acid Formula: C28H39NO4 MolecularWeight: 453.61356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)C=C2CCN(CC2)C(=O)C(C3CCCCC3)C4CCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)C=C2CCN(CC2)C(=O)C(C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C28H39NO4/c1-33-25-19-24(28(31)32)13-12-23(25)18-20-14-16-29(17-15-20)27(30)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h12-13,18-19,21-22,26H,2-11,14-17H2,1H3,(H,31,32)