2-[(4-cyanophenyl)amino]-2-[2-(2-hydroxyethyloxy)-5-methyl-3-prop-2-enyl-phenyl]ethanoate

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[2-(2-hydroxyethyloxy)-5-methyl-3-prop-2-enyl-phenyl]ethanoate Openeye Name: 2-[3-allyl-2-(2-hydroxyethoxy)-5-methyl-phenyl]-2-(4-cyanoanilino)acetate CAS Name: 2-(4-cyanoanilino)-2-[2-(2-hydroxyethoxy)-5-methyl-3-prop-2-enylphenyl]acetate IUPAC Name: 2-(4-cyanoanilino)-2-[2-(2-hydroxyethoxy)-5-methyl-3-prop-2-enylphenyl]acetate Traditional Name: 2-[3-allyl-2-(2-hydroxyethoxy)-5-methyl-phenyl]-2-(4-cyanoanilino)acetate Formula: C21H21N2O4- MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)OCCO)CC=C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)OCCO)CC=C

InChI

InChI=1S/C21H22N2O4/c1-3-4-16-11-14(2)12-18(20(16)27-10-9-24)19(21(25)26)23-17-7-5-15(13-22)6-8-17/h3,5-8,11-12,19,23-24H,1,4,9-10H2,2H3,(H,25,26)/p-1