4-(3-chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2,6-dimethyl-pyridine-3-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2,6-dimethyl-pyridine-3-carboxylic acid Openeye Name: 4-(3-chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2,6-dimethyl-pyridine-3-carboxylic acid CAS Name: 4-(3-chlorophenyl)-5-[3,3-diphenylpropoxy(oxo)methyl]-2,6-dimethyl-3-pyridinecarboxylic acid IUPAC Name: 4-(3-chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2,6-dimethylpyridine-3-carboxylic acid Traditional Name: 4-(3-chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2,6-dimethyl-nicotinic acid Formula: C30H26ClNO4 MolecularWeight: 499.98474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)Cl)C(=O)OCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC(=CC=C2)Cl)C(=O)OCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H26ClNO4/c1-19-26(29(33)34)28(23-14-9-15-24(31)18-23)27(20(2)32-19)30(35)36-17-16-25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25H,16-17H2,1-2H3,(H,33,34)