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

Systemtic Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-[4-(3-cyano-2-pyridyl)piperazino]acetic acid Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H25N5O3/c28-16-20-7-4-10-29-26(20)32-13-11-31(12-14-32)25(27(33)34)23-17-30-24-9-8-21(15-22(23)24)35-18-19-5-2-1-3-6-19/h1-10,15,17,25,30H,11-14,18H2,(H,33,34)