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

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-[2-(4-pyridyl)ethyl]piperazino]acetic acid Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CCC4=CC=NC=C4)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CCC4=CC=NC=C4)CC(=O)O

InChI

InChI=1S/C24H28N4O5/c1-33-18-2-3-21-19(14-18)20(15-28(21)16-22(29)30)23(24(31)32)27-12-10-26(11-13-27)9-6-17-4-7-25-8-5-17/h2-5,7-8,14-15,23H,6,9-13,16H2,1H3,(H,29,30)(H,31,32)