4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-phenyl-4H-pyridin-1-yl]benzoic acid

Systemtic Name: 4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-phenyl-4H-pyridin-1-yl]benzoic acid Openeye Name: 4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-phenyl-4H-pyridin-1-yl]benzoic acid CAS Name: 4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-phenyl-4H-pyridin-1-yl]benzoic acid IUPAC Name: 4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-phenyl-4H-pyridin-1-yl]benzoic acid Traditional Name: 4-(3,5-dicarbethoxy-2,6-dimethyl-4-phenyl-4H-pyridin-1-yl)benzoic acid Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2)C(=O)OCC)C)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2)C(=O)OCC)C)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C26H27NO6/c1-5-32-25(30)21-16(3)27(20-14-12-19(13-15-20)24(28)29)17(4)22(26(31)33-6-2)23(21)18-10-8-7-9-11-18/h7-15,23H,5-6H2,1-4H3,(H,28,29)