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

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-pyridyl)piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-3-indolyl]-2-[4-(2-pyridinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid Traditional Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-pyridyl)piperazino]acetic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

InChI

InChI=1S/C21H22N4O4/c26-19(27)14-25-13-16(15-5-1-2-6-17(15)25)20(21(28)29)24-11-9-23(10-12-24)18-7-3-4-8-22-18/h1-8,13,20H,9-12,14H2,(H,26,27)(H,28,29)