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2-[4-(2-cyanoethyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid

2-[4-(2-cyanoethyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name:2-[4-(2-cyanoethyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid
Openeye Name:2-(6-benzyloxy-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid
CAS Name:2-[4-(2-cyanoethyl)-1-piperazinyl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid
IUPAC Name:2-[4-(2-cyanoethyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid
Traditional Name:2-(6-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=CC(=C3)OCC4=CC=CC=C4)C(=O)O


Isomeric SMILES

C1CN(CCN1CCC#N)C(C2=CNC3=C2C=CC(=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)21-16-26-22-15-19(7-8-20(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)


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