ethyl 6-butan-2-yl-4-(6-chloranyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylate

Systemtic Name: ethyl 6-butan-2-yl-4-(6-chloranyl-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylate Openeye Name: ethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-6-sec-butyl-1,2,3,4-tetrahydroquinoline-2-carboxylate CAS Name: 6-butan-2-yl-4-(6-chloro-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butan-2-yl-4-(6-chloro-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinoline-2-carboxylate Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-6-sec-butyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid ethyl ester Formula: C23H26ClNO4 MolecularWeight: 415.90984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)NC(CC2C3=CC4=C(C=C3Cl)OCO4)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)NC(CC2C3=CC4=C(C=C3Cl)OCO4)C(=O)OCC

InChI

InChI=1S/C23H26ClNO4/c1-4-13(3)14-6-7-19-17(8-14)15(9-20(25-19)23(26)27-5-2)16-10-21-22(11-18(16)24)29-12-28-21/h6-8,10-11,13,15,20,25H,4-5,9,12H2,1-3H3