ethyl 2-azanyl-4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carboxylate Openeye Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C27H27FN2O5 MolecularWeight: 478.512083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)(C)C)C5=CC=C(C=C5)F)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)(C)C)C5=CC=C(C=C5)F)N

InChI

InChI=1S/C27H27FN2O5/c1-4-33-26(32)24-22(15-5-10-20-21(11-15)35-14-34-20)23-18(12-27(2,3)13-19(23)31)30(25(24)29)17-8-6-16(28)7-9-17/h5-11,22H,4,12-14,29H2,1-3H3