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

Systemtic Name: ethyl 4-[5-[(4-bromanylphenoxy)methyl]furan-2-yl]-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H28BrNO5 MolecularWeight: 514.40822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(O3)COC4=CC=C(C=C4)Br)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(O3)COC4=CC=C(C=C4)Br)(C)C)C

InChI

InChI=1S/C26H28BrNO5/c1-5-31-25(30)22-15(2)28-19-12-26(3,4)13-20(29)23(19)24(22)21-11-10-18(33-21)14-32-17-8-6-16(27)7-9-17/h6-12,23-24,28H,5,13-14H2,1-4H3