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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C#N)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C#N)CC(=O)O

InChI

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