2-[(4-cyanophenyl)amino]-2-[3-ethyl-5-(oxan-4-yloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethyl-5-(oxan-4-yloxy)phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-(3-ethyl-5-tetrahydropyran-4-yloxy-phenyl)acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(4-oxanyloxy)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(oxan-4-yloxy)phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(3-ethyl-5-tetrahydropyran-4-yloxy-phenyl)acetic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OC2CCOCC2)C(C(=O)O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1)OC2CCOCC2)C(C(=O)O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N2O4/c1-2-15-11-17(13-20(12-15)28-19-7-9-27-10-8-19)21(22(25)26)24-18-5-3-16(14-23)4-6-18/h3-6,11-13,19,21,24H,2,7-10H2,1H3,(H,25,26)