methyl 2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl)-5-bromanyl-2-methoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl)-5-bromanyl-2-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)-5-bromo-2-methoxy-phenoxy]acetate CAS Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)-5-bromo-2-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)-5-bromo-2-methoxyphenoxy]acetate Traditional Name: 2-[4-(2-amino-3-cyano-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinolin-4-yl)-5-bromo-2-methoxy-phenoxy]acetic acid methyl ester Formula: C22H24BrN3O5 MolecularWeight: 490.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)N)C#N)C3=CC(=C(C=C3Br)OCC(=O)OC)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)N)C#N)C3=CC(=C(C=C3Br)OCC(=O)OC)OC)C(=O)C1)C

InChI

InChI=1S/C22H24BrN3O5/c1-22(2)7-14-20(15(27)8-22)19(12(9-24)21(25)26-14)11-5-16(29-3)17(6-13(11)23)31-10-18(28)30-4/h5-6,19,26H,7-8,10,25H2,1-4H3