N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-pyridin-4-ylcarbonyl-benzamide

Systemtic Name: N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-pyridin-4-ylcarbonyl-benzamide Openeye Name: N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(pyridine-4-carbonyl)benzamide CAS Name: N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-[oxo(pyridin-4-yl)methyl]benzamide IUPAC Name: N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(pyridine-4-carbonyl)benzamide Traditional Name: N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-4-isonicotinoyl-benzamide Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCCC2NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CCCC[C@H]2NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=NC=C4)OC

InChI

InChI=1S/C27H28N2O4/c1-32-24-12-11-21(17-25(24)33-2)22-5-3-4-6-23(22)29-27(31)20-9-7-18(8-10-20)26(30)19-13-15-28-16-14-19/h7-17,22-23H,3-6H2,1-2H3,(H,29,31)/t22-,23-/m1/s1