ethyl 8-[(4-cyanophenyl)carbonylamino]-6-methyl-3,4-dihydro-2H-chromene-2-carboxylate

Systemtic Name: ethyl 8-[(4-cyanophenyl)carbonylamino]-6-methyl-3,4-dihydro-2H-chromene-2-carboxylate Openeye Name: ethyl 8-[(4-cyanobenzoyl)amino]-6-methyl-chromane-2-carboxylate CAS Name: 8-[[(4-cyanophenyl)-oxomethyl]amino]-6-methyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[(4-cyanobenzoyl)amino]-6-methyl-3,4-dihydro-2H-chromene-2-carboxylate Traditional Name: 8-[(4-cyanobenzoyl)amino]-6-methyl-chroman-2-carboxylic acid ethyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2=CC(=CC(=C2O1)NC(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1CCC2=CC(=CC(=C2O1)NC(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H20N2O4/c1-3-26-21(25)18-9-8-16-10-13(2)11-17(19(16)27-18)23-20(24)15-6-4-14(12-22)5-7-15/h4-7,10-11,18H,3,8-9H2,1-2H3,(H,23,24)