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

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C28H29NO7 MolecularWeight: 491.53236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2CC(=O)C3C(C(=C(NC3=C2)C)C(=O)OC)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2CC(=O)C3C(C(=C(NC3=C2)C)C(=O)OC)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C28H29NO7/c1-5-34-21-8-6-16(12-23(21)32-3)18-10-19-27(20(30)11-18)26(25(15(2)29-19)28(31)33-4)17-7-9-22-24(13-17)36-14-35-22/h6-10,12-13,18,26-27,29H,5,11,14H2,1-4H3