methyl 2-[(2-bromanyl-5-methoxy-phenyl)methyl]-5-(3-methoxyphenyl)-3-oxidanylidene-2,6-dihydropyridine-1-carboxylate

Systemtic Name: methyl 2-[(2-bromanyl-5-methoxy-phenyl)methyl]-5-(3-methoxyphenyl)-3-oxidanylidene-2,6-dihydropyridine-1-carboxylate Openeye Name: methyl 2-[(2-bromo-5-methoxy-phenyl)methyl]-5-(3-methoxyphenyl)-3-oxo-2,6-dihydropyridine-1-carboxylate CAS Name: 2-[(2-bromo-5-methoxyphenyl)methyl]-5-(3-methoxyphenyl)-3-oxo-2,6-dihydropyridine-1-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-5-methoxyphenyl)methyl]-5-(3-methoxyphenyl)-3-oxo-2,6-dihydropyridine-1-carboxylate Traditional Name: 2-(2-bromo-5-methoxy-benzyl)-3-keto-5-(3-methoxyphenyl)-2,6-dihydropyridine-1-carboxylic acid methyl ester Formula: C22H22BrNO5 MolecularWeight: 460.31778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2C(=O)C=C(CN2C(=O)OC)C3=CC(=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2C(=O)C=C(CN2C(=O)OC)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H22BrNO5/c1-27-17-6-4-5-14(9-17)16-12-21(25)20(24(13-16)22(26)29-3)11-15-10-18(28-2)7-8-19(15)23/h4-10,12,20H,11,13H2,1-3H3