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

Systemtic Name: 3-[5-methoxy-3-[1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[2-hydroxy-1-[4-(2-methylallyl)piperazin-1-yl]-2-oxo-ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[2-hydroxy-1-[4-(2-methylprop-2-enyl)-1-piperazinyl]-2-oxoethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[2-hydroxy-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxoethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[2-hydroxy-2-keto-1-[4-(2-methylallyl)piperazino]ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5/c1-15(2)13-23-8-10-24(11-9-23)21(22(28)29)18-14-25(7-6-20(26)27)19-5-4-16(30-3)12-17(18)19/h4-5,12,14,21H,1,6-11,13H2,2-3H3,(H,26,27)(H,28,29)