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

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethyl-5-(oxan-4-ylamino)phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(tetrahydropyran-4-ylamino)phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(4-oxanylamino)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(oxan-4-ylamino)phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(tetrahydropyran-4-ylamino)phenyl]acetic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)NC2CCOCC2)C(C(=O)O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1)NC2CCOCC2)C(C(=O)O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O3/c1-2-15-11-17(13-20(12-15)24-19-7-9-28-10-8-19)21(22(26)27)25-18-5-3-16(14-23)4-6-18/h3-6,11-13,19,21,24-25H,2,7-10H2,1H3,(H,26,27)