2-[(4-cyanophenyl)amino]-2-[3-ethyl-5-(oxolan-2-ylmethoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethyl-5-(oxolan-2-ylmethoxy)phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(tetrahydrofuran-2-ylmethoxy)phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(2-oxolanylmethoxy)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(oxolan-2-ylmethoxy)phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(tetrahydrofurfuryloxy)phenyl]acetic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OCC2CCCO2)C(C(=O)O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1)OCC2CCCO2)C(C(=O)O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N2O4/c1-2-15-10-17(12-20(11-15)28-14-19-4-3-9-27-19)21(22(25)26)24-18-7-5-16(13-23)6-8-18/h5-8,10-12,19,21,24H,2-4,9,14H2,1H3,(H,25,26)