1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]ethyl]indole-6-carboxylic acid

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]ethyl]indole-6-carboxylic acid Openeye Name: 3-[1-(4-benzyl-1-piperidyl)-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(phenylmethyl)-1-piperidinyl]ethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[1-(4-benzylpiperidin-1-yl)-2-hydroxy-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[1-(4-benzylpiperidino)-2-hydroxy-2-keto-ethyl]-1-methyl-indole-6-carboxylic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O4/c1-25-15-20(19-8-7-18(23(27)28)14-21(19)25)22(24(29)30)26-11-9-17(10-12-26)13-16-5-3-2-4-6-16/h2-8,14-15,17,22H,9-13H2,1H3,(H,27,28)(H,29,30)