1-[1-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-hydroxy-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-hydroxy-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-hydroxy-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-hydroxy-2-keto-ethyl]isonipecotic acid Formula: C19H22N2O7 MolecularWeight: 390.38718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCC(CC3)C(=O)O)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCC(CC3)C(=O)O)CC(=O)O

InChI

InChI=1S/C19H22N2O7/c1-28-12-2-3-15-13(8-12)14(9-21(15)10-16(22)23)17(19(26)27)20-6-4-11(5-7-20)18(24)25/h2-3,8-9,11,17H,4-7,10H2,1H3,(H,22,23)(H,24,25)(H,26,27)