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

Systemtic Name: 3-[3-[1-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-5-methoxy-indol-1-yl]propanoic acid Openeye Name: 3-[3-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[1-(4-acetyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[1-(4-acetylpiperazino)-2-hydroxy-2-keto-ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H25N3O6/c1-13(24)21-7-9-22(10-8-21)19(20(27)28)16-12-23(6-5-18(25)26)17-4-3-14(29-2)11-15(16)17/h3-4,11-12,19H,5-10H2,1-2H3,(H,25,26)(H,27,28)