butan-2-yl 4-(4-acetyloxy-3-ethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: butan-2-yl 4-(4-acetyloxy-3-ethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: sec-butyl 4-(4-acetoxy-3-ethoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-acetyloxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 4-(4-acetyloxy-3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-acetoxy-3-ethoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid sec-butyl ester Formula: C27H35NO6 MolecularWeight: 469.5699

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(C=C3)OC(=O)C)OCC)(C)C)C

Isomeric SMILES

CCC(C)OC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(C=C3)OC(=O)C)OCC)(C)C)C

InChI

InChI=1S/C27H35NO6/c1-8-15(3)33-26(31)23-16(4)28-19-13-27(6,7)14-20(30)25(19)24(23)18-10-11-21(34-17(5)29)22(12-18)32-9-2/h10-13,15,24-25,28H,8-9,14H2,1-7H3