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

Systemtic Name: 3-[5-methoxy-3-[2-oxidanyl-2-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[2-hydroxy-2-oxo-1-[4-(2-pyridyl)piperazin-1-yl]ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[2-hydroxy-2-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[2-hydroxy-2-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[2-hydroxy-2-keto-1-[4-(2-pyridyl)piperazino]ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)C4=CC=CC=N4)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)C4=CC=CC=N4)CCC(=O)O

InChI

InChI=1S/C23H26N4O5/c1-32-16-5-6-19-17(14-16)18(15-27(19)9-7-21(28)29)22(23(30)31)26-12-10-25(11-13-26)20-4-2-3-8-24-20/h2-6,8,14-15,22H,7,9-13H2,1H3,(H,28,29)(H,30,31)