3-[1-(4-methanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-5-carboxylic acid

Systemtic Name: 3-[1-(4-methanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-5-carboxylic acid Openeye Name: 3-[1-(4-formylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[1-(4-formyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[1-(4-formylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[1-(4-formylpiperazino)-2-hydroxy-2-keto-ethyl]-1-methyl-indole-5-carboxylic acid Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C=O

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C=O

InChI

InChI=1S/C17H19N3O5/c1-18-9-13(12-8-11(16(22)23)2-3-14(12)18)15(17(24)25)20-6-4-19(10-21)5-7-20/h2-3,8-10,15H,4-7H2,1H3,(H,22,23)(H,24,25)