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

Systemtic Name: 3-[2-oxidanyl-2-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-(phenylmethyl)indole-6-carboxylic acid Openeye Name: 1-benzyl-3-[2-hydroxy-2-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]indole-6-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-(phenylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[2-hydroxy-2-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]indole-6-carboxylic acid Traditional Name: 1-benzyl-3-[2-hydroxy-2-keto-1-[4-(2-pyrimidyl)piperazino]ethyl]indole-6-carboxylic acid Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(C3=CN(C4=C3C=CC(=C4)C(=O)O)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(C3=CN(C4=C3C=CC(=C4)C(=O)O)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H25N5O4/c32-24(33)19-7-8-20-21(17-31(22(20)15-19)16-18-5-2-1-3-6-18)23(25(34)35)29-11-13-30(14-12-29)26-27-9-4-10-28-26/h1-10,15,17,23H,11-14,16H2,(H,32,33)(H,34,35)