propan-2-yl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: propan-2-yl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: isopropyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid isopropyl ester Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OC(C)C)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OC(C)C)Br)O

InChI

InChI=1S/C22H26BrNO5/c1-5-28-17-10-13(9-14(23)21(17)26)19-18(22(27)29-11(2)3)12(4)24-15-7-6-8-16(25)20(15)19/h9-11,18-19,24,26H,4-8H2,1-3H3