cyclohexyl (4R,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl (4R,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4R,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4R,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7S)-4-(1,3-benzodioxol-5-yl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C30H31NO5 MolecularWeight: 485.57084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)CC(C2)C6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)C[C@H](C2)C6=CC=CC=C6

InChI

InChI=1S/C30H31NO5/c1-18-27(30(33)36-22-10-6-3-7-11-22)28(20-12-13-25-26(16-20)35-17-34-25)29-23(31-18)14-21(15-24(29)32)19-8-4-2-5-9-19/h2,4-5,8-9,12-13,16,21-22,27-28H,3,6-7,10-11,14-15,17H2,1H3/t21-,27?,28-/m0/s1