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

Systemtic Name: 3-[3-[1-(4-methanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-5-methoxy-indol-1-yl]propanoic acid Openeye Name: 3-[3-[1-(4-formylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[1-(4-formyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[1-(4-formylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[1-(4-formylpiperazino)-2-hydroxy-2-keto-ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6/c1-28-13-2-3-16-14(10-13)15(11-22(16)5-4-17(24)25)18(19(26)27)21-8-6-20(12-23)7-9-21/h2-3,10-12,18H,4-9H2,1H3,(H,24,25)(H,26,27)