2-[(4-cyanophenyl)amino]-2-(4-propan-2-yloxy-3-prop-2-enyl-phenyl)ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(4-propan-2-yloxy-3-prop-2-enyl-phenyl)ethanoic acid Openeye Name: 2-(3-allyl-4-isopropoxy-phenyl)-2-(4-cyanoanilino)acetic acid CAS Name: 2-(4-cyanoanilino)-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(4-propan-2-yloxy-3-prop-2-enylphenyl)acetic acid Traditional Name: 2-(3-allyl-4-isopropoxy-phenyl)-2-(4-cyanoanilino)acetic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)CC=C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)CC=C

InChI

InChI=1S/C21H22N2O3/c1-4-5-16-12-17(8-11-19(16)26-14(2)3)20(21(24)25)23-18-9-6-15(13-22)7-10-18/h4,6-12,14,20,23H,1,5H2,2-3H3,(H,24,25)