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

Systemtic Name: 3-[5-methoxy-3-[2-oxidanyl-2-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[2-hydroxy-2-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[2-hydroxy-2-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[2-hydroxy-2-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[2-hydroxy-2-keto-1-[4-(2-pyrimidyl)piperazino]ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5/c1-32-15-3-4-18-16(13-15)17(14-27(18)8-5-19(28)29)20(21(30)31)25-9-11-26(12-10-25)22-23-6-2-7-24-22/h2-4,6-7,13-14,20H,5,8-12H2,1H3,(H,28,29)(H,30,31)