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

Systemtic Name: 3-[1-(4-carboxypiperidin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-5-carboxylic acid Openeye Name: 3-[1-(4-carboxy-1-piperidyl)-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[1-(4-carboxy-1-piperidinyl)-2-hydroxy-2-oxoethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[1-(4-carboxypiperidin-1-yl)-2-hydroxy-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[1-(4-carboxypiperidino)-2-hydroxy-2-keto-ethyl]-1-methyl-indole-5-carboxylic acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H20N2O6/c1-19-9-13(12-8-11(17(23)24)2-3-14(12)19)15(18(25)26)20-6-4-10(5-7-20)16(21)22/h2-3,8-10,15H,4-7H2,1H3,(H,21,22)(H,23,24)(H,25,26)