2-[1-[(2-cyanophenyl)methyl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(2-cyanophenyl)methyl]indol-3-yl]ethanoic acid Openeye Name: 2-[1-[(2-cyanophenyl)methyl]indol-3-yl]acetic acid CAS Name: 2-[1-[(2-cyanophenyl)methyl]-3-indolyl]acetic acid IUPAC Name: 2-[1-[(2-cyanophenyl)methyl]indol-3-yl]acetic acid Traditional Name: 2-[1-(2-cyanobenzyl)indol-3-yl]acetic acid Formula: C18H14N2O2 MolecularWeight: 290.31596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)CC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)CC(=O)O)C#N

InChI

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