1-[(2-chloranylpyridin-3-yl)methyl]-5-ethyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid

Systemtic Name: 1-[(2-chloranylpyridin-3-yl)methyl]-5-ethyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid Openeye Name: 1-[(2-chloro-3-pyridyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid CAS Name: 1-[(2-chloro-3-pyridinyl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-2-indolecarboxylic acid IUPAC Name: 1-[(2-chloropyridin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid Traditional Name: 1-[(2-chloro-3-pyridyl)methyl]-5-ethyl-3-(2-keto-1H-pyridin-3-yl)indole-2-carboxylic acid Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=C2C3=CC=CNC3=O)C(=O)O)CC4=C(N=CC=C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=C2C3=CC=CNC3=O)C(=O)O)CC4=C(N=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O3/c1-2-13-7-8-17-16(11-13)18(15-6-4-10-25-21(15)27)19(22(28)29)26(17)12-14-5-3-9-24-20(14)23/h3-11H,2,12H2,1H3,(H,25,27)(H,28,29)