1-(phenylmethyl)-3-(2,4,6-trimethoxypyridin-3-yl)carbonyl-indole-2-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-3-(2,4,6-trimethoxypyridin-3-yl)carbonyl-indole-2-carboxylic acid Openeye Name: 1-benzyl-3-(2,4,6-trimethoxypyridine-3-carbonyl)indole-2-carboxylic acid CAS Name: 3-[oxo-(2,4,6-trimethoxy-3-pyridinyl)methyl]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-(2,4,6-trimethoxypyridine-3-carbonyl)indole-2-carboxylic acid Traditional Name: 1-benzyl-3-(2,4,6-trimethoxynicotinoyl)indole-2-carboxylic acid Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=C1C(=O)C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=C1C(=O)C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O)OC)OC

InChI

InChI=1S/C25H22N2O6/c1-31-18-13-19(32-2)26-24(33-3)21(18)23(28)20-16-11-7-8-12-17(16)27(22(20)25(29)30)14-15-9-5-4-6-10-15/h4-13H,14H2,1-3H3,(H,29,30)