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

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(4-pyridylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-3-indolyl]-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(4-pyridylmethyl)piperazino]acetic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

InChI

InChI=1S/C22H24N4O4/c27-20(28)15-26-14-18(17-3-1-2-4-19(17)26)21(22(29)30)25-11-9-24(10-12-25)13-16-5-7-23-8-6-16/h1-8,14,21H,9-13,15H2,(H,27,28)(H,29,30)