1-[1-(2-methyl-1H-indol-3-yl)-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(2-methyl-1H-indol-3-yl)-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-hydroxy-1-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-hydroxy-1-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-1-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-hydroxy-2-keto-1-(2-methyl-1H-indol-3-yl)ethyl]nipecotic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H20N2O4/c1-10-14(12-6-2-3-7-13(12)18-10)15(17(22)23)19-8-4-5-11(9-19)16(20)21/h2-3,6-7,11,15,18H,4-5,8-9H2,1H3,(H,20,21)(H,22,23)