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

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(3-pyridylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-[4-(3-pyridinylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(3-pyridylmethyl)piperazino]acetic acid Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5/c1-32-17-4-5-20-18(11-17)19(14-27(20)15-21(28)29)22(23(30)31)26-9-7-25(8-10-26)13-16-3-2-6-24-12-16/h2-6,11-12,14,22H,7-10,13,15H2,1H3,(H,28,29)(H,30,31)