1-[1-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-hydroxy-1-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-hydroxy-1-[6-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-1-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-hydroxy-1-[6-(isobutyrylamino)-1H-indol-3-yl]-2-keto-ethyl]nipecotic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H25N3O5/c1-11(2)18(24)22-13-5-6-14-15(9-21-16(14)8-13)17(20(27)28)23-7-3-4-12(10-23)19(25)26/h5-6,8-9,11-12,17,21H,3-4,7,10H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)