2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-cyanoethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-cyanoethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-[4-(2-cyanoethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-cyanoethyl)piperazino]acetic acid Formula: C20H24N4O5 MolecularWeight: 400.42836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5/c1-29-14-3-4-17-15(11-14)16(12-24(17)13-18(25)26)19(20(27)28)23-9-7-22(8-10-23)6-2-5-21/h3-4,11-12,19H,2,6-10,13H2,1H3,(H,25,26)(H,27,28)