3-[5-methoxy-3-[2-oxidanyl-2-oxidanylidene-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]indol-1-yl]propanoic acid

Systemtic Name: 3-[5-methoxy-3-[2-oxidanyl-2-oxidanylidene-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[2-hydroxy-2-oxo-1-[4-(2-pyridylmethyl)piperazin-1-yl]ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[2-hydroxy-2-oxo-1-[4-(2-pyridinylmethyl)-1-piperazinyl]ethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[2-hydroxy-2-oxo-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[2-hydroxy-2-keto-1-[4-(2-pyridylmethyl)piperazino]ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CC=N4)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CC=N4)CCC(=O)O

InChI

InChI=1S/C24H28N4O5/c1-33-18-5-6-21-19(14-18)20(16-28(21)9-7-22(29)30)23(24(31)32)27-12-10-26(11-13-27)15-17-4-2-3-8-25-17/h2-6,8,14,16,23H,7,9-13,15H2,1H3,(H,29,30)(H,31,32)