methyl 4-[5-[(4-bromanylphenoxy)methyl]furan-2-yl]-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl 4-[5-[(4-bromanylphenoxy)methyl]furan-2-yl]-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-[5-[(4-bromophenoxy)methyl]-2-furyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-[5-[(4-bromophenoxy)methyl]-2-furanyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-[5-[(4-bromophenoxy)methyl]-2-furyl]-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C25H26BrNO5 MolecularWeight: 500.38164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=C(O3)COC4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=C(O3)COC4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C25H26BrNO5/c1-14-21(24(29)30-4)23(22-18(27-14)11-25(2,3)12-19(22)28)20-10-9-17(32-20)13-31-16-7-5-15(26)6-8-16/h5-11,22-23,27H,12-13H2,1-4H3