3-[2-oxidanyl-2-oxidanylidene-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1-(phenylmethyl)indole-6-carboxylic acid

Systemtic Name: 3-[2-oxidanyl-2-oxidanylidene-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1-(phenylmethyl)indole-6-carboxylic acid Openeye Name: 1-benzyl-3-[2-hydroxy-2-oxo-1-[4-[2-(2-pyridyl)ethyl]piperazin-1-yl]ethyl]indole-6-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-[2-(2-pyridinyl)ethyl]-1-piperazinyl]ethyl]-1-(phenylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[2-hydroxy-2-oxo-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]indole-6-carboxylic acid Traditional Name: 1-benzyl-3-[2-hydroxy-2-keto-1-[4-[2-(2-pyridyl)ethyl]piperazino]ethyl]indole-6-carboxylic acid Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=N2)C(C3=CN(C4=C3C=CC(=C4)C(=O)O)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=N2)C(C3=CN(C4=C3C=CC(=C4)C(=O)O)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H30N4O4/c34-28(35)22-9-10-24-25(20-33(26(24)18-22)19-21-6-2-1-3-7-21)27(29(36)37)32-16-14-31(15-17-32)13-11-23-8-4-5-12-30-23/h1-10,12,18,20,27H,11,13-17,19H2,(H,34,35)(H,36,37)