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

Systemtic Name: 3-[5-methoxy-3-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[2-hydroxy-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[2-hydroxy-1-[4-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[2-hydroxy-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[2-hydroxy-2-keto-1-[4-(3-methoxyphenyl)piperazino]ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C25H29N3O6 MolecularWeight: 467.51426

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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=C4)OC)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O6/c1-33-18-5-3-4-17(14-18)26-10-12-27(13-11-26)24(25(31)32)21-16-28(9-8-23(29)30)22-7-6-19(34-2)15-20(21)22/h3-7,14-16,24H,8-13H2,1-2H3,(H,29,30)(H,31,32)