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

Systemtic Name: methyl 3-(2-azanyl-3-cyano-9-methoxy-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoate Openeye Name: methyl 3-(2-amino-3-cyano-9-methoxy-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoate CAS Name: 3-(2-amino-3-cyano-9-methoxy-5,6-dihydro-4H-benzo[h][1]benzopyran-4-yl)benzoic acid methyl ester IUPAC Name: methyl 3-(2-amino-3-cyano-9-methoxy-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoate Traditional Name: 3-(2-amino-3-cyano-9-methoxy-5,6-dihydro-4H-benzo[h]chromen-4-yl)benzoic acid methyl ester Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC3=C2OC(=C(C3C4=CC=CC(=C4)C(=O)OC)C#N)N)C=C1

Isomeric SMILES

COC1=CC2=C(CCC3=C2OC(=C(C3C4=CC=CC(=C4)C(=O)OC)C#N)N)C=C1

InChI

InChI=1S/C23H20N2O4/c1-27-16-8-6-13-7-9-17-20(14-4-3-5-15(10-14)23(26)28-2)19(12-24)22(25)29-21(17)18(13)11-16/h3-6,8,10-11,20H,7,9,25H2,1-2H3