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

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-pyridyl)piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-[4-(2-pyridinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-pyridyl)piperazino]acetic acid Formula: C22H24N4O5 MolecularWeight: 424.44976

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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=N4)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)C4=CC=CC=N4)CC(=O)O

InChI

InChI=1S/C22H24N4O5/c1-31-15-5-6-18-16(12-15)17(13-26(18)14-20(27)28)21(22(29)30)25-10-8-24(9-11-25)19-4-2-3-7-23-19/h2-7,12-13,21H,8-11,14H2,1H3,(H,27,28)(H,29,30)