2-[4-(2-cyanoethyl)piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazino]acetic acid Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H26N4O3/c25-9-4-10-27-11-13-28(14-12-27)23(24(29)30)21-16-26-22-8-7-19(15-20(21)22)31-17-18-5-2-1-3-6-18/h1-3,5-8,15-16,23,26H,4,10-14,17H2,(H,29,30)