[4-[aminocarbonyl(phenyl)amino]-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [4-[aminocarbonyl(phenyl)amino]-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-(N-carbamoylanilino)-6-cyano-2,2-dimethyl-chroman-3-yl] acetate CAS Name: acetic acid [4-(N-carbamoylanilino)-6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [4-(N-carbamoylanilino)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-(N-carbamoylanilino)-6-cyano-2,2-dimethyl-chroman-3-yl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H21N3O4/c1-13(25)27-19-18(24(20(23)26)15-7-5-4-6-8-15)16-11-14(12-22)9-10-17(16)28-21(19,2)3/h4-11,18-19H,1-3H3,(H2,23,26)