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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OC6CCCCC6

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OC6CCCCC6

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/h2,4-5,8-9,12-14,16,21-22,28-29,31H,3,6-7,10-11,15,17H2,1H3