5-[2-[[4-(methylamino)-4-oxidanylidene-butyl]carbamoylamino]pyridin-4-yl]oxyindole-1-carboxylic acid

Systemtic Name: 5-[2-[[4-(methylamino)-4-oxidanylidene-butyl]carbamoylamino]pyridin-4-yl]oxyindole-1-carboxylic acid Openeye Name: 5-[[2-[[4-(methylamino)-4-oxo-butyl]carbamoylamino]-4-pyridyl]oxy]indole-1-carboxylic acid CAS Name: 5-[[2-[[[[4-(methylamino)-4-oxobutyl]amino]-oxomethyl]amino]-4-pyridinyl]oxy]-1-indolecarboxylic acid IUPAC Name: 5-[2-[[4-(methylamino)-4-oxobutyl]carbamoylamino]pyridin-4-yl]oxyindole-1-carboxylic acid Traditional Name: 5-[[2-[[4-keto-4-(methylamino)butyl]carbamoylamino]-4-pyridyl]oxy]indole-1-carboxylic acid Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCCNC(=O)NC1=NC=CC(=C1)OC2=CC3=C(C=C2)N(C=C3)C(=O)O

Isomeric SMILES

CNC(=O)CCCNC(=O)NC1=NC=CC(=C1)OC2=CC3=C(C=C2)N(C=C3)C(=O)O

InChI

InChI=1S/C20H21N5O5/c1-21-18(26)3-2-8-23-19(27)24-17-12-15(6-9-22-17)30-14-4-5-16-13(11-14)7-10-25(16)20(28)29/h4-7,9-12H,2-3,8H2,1H3,(H,21,26)(H,28,29)(H2,22,23,24,27)