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

Systemtic Name: 3-[5-methoxy-3-[1-(4-methylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[2-hydroxy-1-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[2-hydroxy-1-(4-methyl-1-piperazinyl)-2-oxoethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[2-hydroxy-1-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[2-hydroxy-2-keto-1-(4-methylpiperazino)ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CCC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CCC(=O)O)C(=O)O

InChI

InChI=1S/C19H25N3O5/c1-20-7-9-21(10-8-20)18(19(25)26)15-12-22(6-5-17(23)24)16-4-3-13(27-2)11-14(15)16/h3-4,11-12,18H,5-10H2,1-2H3,(H,23,24)(H,25,26)