pentyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: pentyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-bromophenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C24H30BrNO3 MolecularWeight: 460.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(C=C3)Br)(C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(C=C3)Br)(C)C)C

InChI

InChI=1S/C24H30BrNO3/c1-5-6-7-12-29-23(28)20-15(2)26-18-13-24(3,4)14-19(27)22(18)21(20)16-8-10-17(25)11-9-16/h8-11,13,21-22,26H,5-7,12,14H2,1-4H3