2-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoylamino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoylamino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoylamino]-4,5-dimethoxy-benzoic acid Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)OC

InChI

InChI=1S/C21H21N3O7/c1-30-17-8-13(19(25)26)15(9-18(17)31-2)23-21(29)24-16(20(27)28)7-11-10-22-14-6-4-3-5-12(11)14/h3-6,8-10,16,22H,7H2,1-2H3,(H,25,26)(H,27,28)(H2,23,24,29)