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

Systemtic Name: 3-[2-oxidanyl-2-oxidanylidene-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]-1-(phenylmethyl)indole-6-carboxylic acid Openeye Name: 1-benzyl-3-[2-hydroxy-2-oxo-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethyl]indole-6-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethyl]-1-(phenylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[2-hydroxy-2-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]indole-6-carboxylic acid Traditional Name: 1-benzyl-3-[2-hydroxy-2-keto-1-[4-(3-pyridylmethyl)piperazino]ethyl]indole-6-carboxylic acid Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(C3=CN(C4=C3C=CC(=C4)C(=O)O)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(C3=CN(C4=C3C=CC(=C4)C(=O)O)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H28N4O4/c33-27(34)22-8-9-23-24(19-32(25(23)15-22)18-20-5-2-1-3-6-20)26(28(35)36)31-13-11-30(12-14-31)17-21-7-4-10-29-16-21/h1-10,15-16,19,26H,11-14,17-18H2,(H,33,34)(H,35,36)