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

Systemtic Name: 3-[3-[1-(4-ethylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-5-methoxy-indol-1-yl]propanoic acid Openeye Name: 3-[3-[1-(4-ethylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[1-(4-ethyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[1-(4-ethylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[1-(4-ethylpiperazino)-2-hydroxy-2-keto-ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C20H27N3O5 MolecularWeight: 389.44548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CCC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H27N3O5/c1-3-21-8-10-22(11-9-21)19(20(26)27)16-13-23(7-6-18(24)25)17-5-4-14(28-2)12-15(16)17/h4-5,12-13,19H,3,6-11H2,1-2H3,(H,24,25)(H,26,27)