methyl 3-(2-acetamido-3-cyano-9-methoxy-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoate

Systemtic Name: methyl 3-(2-acetamido-3-cyano-9-methoxy-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoate Openeye Name: methyl 3-(2-acetamido-3-cyano-9-methoxy-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoate CAS Name: 3-(2-acetamido-3-cyano-9-methoxy-5,6-dihydro-4H-benzo[h][1]benzopyran-4-yl)benzoic acid methyl ester IUPAC Name: methyl 3-(2-acetamido-3-cyano-9-methoxy-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoate Traditional Name: 3-(2-acetamido-3-cyano-9-methoxy-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoic acid methyl ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(C2=C(O1)C3=C(CC2)C=CC(=C3)OC)C4=CC=CC(=C4)C(=O)OC)C#N

Isomeric SMILES

CC(=O)NC1=C(C(C2=C(O1)C3=C(CC2)C=CC(=C3)OC)C4=CC=CC(=C4)C(=O)OC)C#N

InChI

InChI=1S/C25H22N2O5/c1-14(28)27-24-21(13-26)22(16-5-4-6-17(11-16)25(29)31-3)19-10-8-15-7-9-18(30-2)12-20(15)23(19)32-24/h4-7,9,11-12,22H,8,10H2,1-3H3,(H,27,28)