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

Systemtic Name: oxolan-2-ylmethyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: tetrahydrofuran-2-ylmethyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(2-bromophenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid tetrahydrofurfuryl ester Formula: C24H28BrNO4 MolecularWeight: 474.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CC=C3Br)C(=O)OCC4CCCO4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CC=C3Br)C(=O)OCC4CCCO4

InChI

InChI=1S/C24H28BrNO4/c1-14-20(23(28)30-13-15-7-6-10-29-15)21(16-8-4-5-9-17(16)25)22-18(26-14)11-24(2,3)12-19(22)27/h4-5,8-9,11,15,21-22,26H,6-7,10,12-13H2,1-3H3