methyl 3-(2-acetamido-3-cyano-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoate

Systemtic Name: methyl 3-(2-acetamido-3-cyano-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoate Openeye Name: methyl 3-(2-acetamido-3-cyano-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoate CAS Name: 3-(2-acetamido-3-cyano-5,6-dihydro-4H-benzo[h][1]benzopyran-4-yl)benzoic acid methyl ester IUPAC Name: methyl 3-(2-acetamido-3-cyano-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoate Traditional Name: 3-(2-acetamido-3-cyano-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoic acid methyl ester Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(C2=C(O1)C3=CC=CC=C3CC2)C4=CC=CC(=C4)C(=O)OC)C#N

Isomeric SMILES

CC(=O)NC1=C(C(C2=C(O1)C3=CC=CC=C3CC2)C4=CC=CC(=C4)C(=O)OC)C#N

InChI

InChI=1S/C24H20N2O4/c1-14(27)26-23-20(13-25)21(16-7-5-8-17(12-16)24(28)29-2)19-11-10-15-6-3-4-9-18(15)22(19)30-23/h3-9,12,21H,10-11H2,1-2H3,(H,26,27)