2-[3-(cyanomethyl)-5-phenyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(cyanomethyl)-5-phenyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(cyanomethyl)-5-phenyl-indol-1-yl]acetic acid CAS Name: 2-[3-(cyanomethyl)-5-phenyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(cyanomethyl)-5-phenylindol-1-yl]acetic acid Traditional Name: 2-[3-(cyanomethyl)-5-phenyl-indol-1-yl]acetic acid Formula: C18H14N2O2 MolecularWeight: 290.31596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=C3CC#N)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C=C3CC#N)CC(=O)O

InChI

InChI=1S/C18H14N2O2/c19-9-8-15-11-20(12-18(21)22)17-7-6-14(10-16(15)17)13-4-2-1-3-5-13/h1-7,10-11H,8,12H2,(H,21,22)