cycloheptyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cycloheptyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cycloheptyl (4S)-2,7,7-trimethyl-5-oxo-4-(4-oxochromen-3-yl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(4-oxo-1-benzopyran-3-yl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4S)-2,7,7-trimethyl-5-oxo-4-(4-oxochromen-3-yl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-4-(4-ketochromen-3-yl)-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cycloheptyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=CC=CC=C4C3=O)C(=O)OC5CCCCCC5

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)C3=COC4=CC=CC=C4C3=O)C(=O)OC5CCCCCC5

InChI

InChI=1S/C29H33NO5/c1-17-24(28(33)35-18-10-6-4-5-7-11-18)25(26-21(30-17)14-29(2,3)15-22(26)31)20-16-34-23-13-9-8-12-19(23)27(20)32/h8-9,12-13,16,18,25,30H,4-7,10-11,14-15H2,1-3H3/t25-/m0/s1