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

Systemtic Name: 3-[5-methoxy-3-[2-oxidanyl-2-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[1-(4-benzylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[2-hydroxy-2-oxo-1-[4-(phenylmethyl)-1-piperazinyl]ethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[1-(4-benzylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[1-(4-benzylpiperazino)-2-hydroxy-2-keto-ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C25H29N3O5/c1-33-19-7-8-22-20(15-19)21(17-28(22)10-9-23(29)30)24(25(31)32)27-13-11-26(12-14-27)16-18-5-3-2-4-6-18/h2-8,15,17,24H,9-14,16H2,1H3,(H,29,30)(H,31,32)