ethyl 6-azanyl-5-cyano-2-methyl-4-(4-prop-2-ynoxyphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-methyl-4-(4-prop-2-ynoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-methyl-4-(4-prop-2-ynoxyphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-methyl-4-(4-prop-2-ynoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-methyl-4-(4-prop-2-ynoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-methyl-4-(4-propargyloxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OCC#C)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OCC#C)C#N)N)C

InChI

InChI=1S/C19H18N2O4/c1-4-10-24-14-8-6-13(7-9-14)17-15(11-20)18(21)25-12(3)16(17)19(22)23-5-2/h1,6-9,17H,5,10,21H2,2-3H3