cycloheptyl (4S)-4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cycloheptyl (4S)-4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cycloheptyl (4S)-4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cycloheptyl ester Formula: C26H32N2O7 MolecularWeight: 484.54148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3C(=NC(=C2C(=O)OC4CCCCCC4)C)CCCC3=O

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])[C@@H]2C3C(=NC(=C2C(=O)OC4CCCCCC4)C)CCCC3=O

InChI

InChI=1S/C26H32N2O7/c1-3-34-21-14-16(13-19(25(21)30)28(32)33)23-22(26(31)35-17-9-6-4-5-7-10-17)15(2)27-18-11-8-12-20(29)24(18)23/h13-14,17,23-24,30H,3-12H2,1-2H3/t23-,24?/m0/s1