2-[(4-cyanophenyl)amino]-2-[3-ethoxy-5-[(propan-2-ylamino)methyl]phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethoxy-5-[(propan-2-ylamino)methyl]phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-[(isopropylamino)methyl]phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-[(propan-2-ylamino)methyl]phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-[(propan-2-ylamino)methyl]phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-[(isopropylamino)methyl]phenyl]acetic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)CNC(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)CNC(C)C

InChI

InChI=1S/C21H25N3O3/c1-4-27-19-10-16(13-23-14(2)3)9-17(11-19)20(21(25)26)24-18-7-5-15(12-22)6-8-18/h5-11,14,20,23-24H,4,13H2,1-3H3,(H,25,26)