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

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-3-indolyl]-2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(3-cyano-2-pyridyl)piperazino]acetic acid Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4/c23-12-15-4-3-7-24-21(15)26-10-8-25(9-11-26)20(22(30)31)17-13-27(14-19(28)29)18-6-2-1-5-16(17)18/h1-7,13,20H,8-11,14H2,(H,28,29)(H,30,31)