7-[2-(1,4-diazepan-1-yl)pyridin-4-yl]oxy-1-methyl-indole-2-carboxylic acid

Systemtic Name: 7-[2-(1,4-diazepan-1-yl)pyridin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Openeye Name: 7-[[2-(1,4-diazepan-1-yl)-4-pyridyl]oxy]-1-methyl-indole-2-carboxylic acid CAS Name: 7-[[2-(1,4-diazepan-1-yl)-4-pyridinyl]oxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 7-[2-(1,4-diazepan-1-yl)pyridin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 7-[[2-(1,4-diazepan-1-yl)-4-pyridyl]oxy]-1-methyl-indole-2-carboxylic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)OC3=CC(=NC=C3)N4CCCNCC4)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=CC(=NC=C3)N4CCCNCC4)C(=O)O

InChI

InChI=1S/C20H22N4O3/c1-23-16(20(25)26)12-14-4-2-5-17(19(14)23)27-15-6-8-22-18(13-15)24-10-3-7-21-9-11-24/h2,4-6,8,12-13,21H,3,7,9-11H2,1H3,(H,25,26)