cycloheptyl (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cycloheptyl (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cycloheptyl (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4S)-4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromophenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cycloheptyl ester Formula: C26H32BrNO3 MolecularWeight: 486.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCCC3)C4=CC(=CC=C4)Br)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC3CCCCCC3)C4=CC(=CC=C4)Br)C(=O)CC(C2)(C)C

InChI

InChI=1S/C26H32BrNO3/c1-16-22(25(30)31-19-11-6-4-5-7-12-19)23(17-9-8-10-18(27)13-17)24-20(28-16)14-26(2,3)15-21(24)29/h8-10,13,19,22-23H,4-7,11-12,14-15H2,1-3H3/t22?,23-/m1/s1