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

Systemtic Name: 2-(4-chloranyl-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(4-chloro-1H-indol-3-yl)-2-[4-(4-pyridylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-(4-chloro-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(4-chloro-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(4-chloro-1H-indol-3-yl)-2-[4-(4-pyridylmethyl)piperazino]acetic acid Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(C3=CNC4=C3C(=CC=C4)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(C3=CNC4=C3C(=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C20H21ClN4O2/c21-16-2-1-3-17-18(16)15(12-23-17)19(20(26)27)25-10-8-24(9-11-25)13-14-4-6-22-7-5-14/h1-7,12,19,23H,8-11,13H2,(H,26,27)