butan-2-yl 6-(4-chlorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: butan-2-yl 6-(4-chlorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: sec-butyl 6-(4-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: 6-(4-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 6-(4-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: 6-(4-chlorophenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid sec-butyl ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCC(C)OC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H22ClNO3/c1-4-11(2)25-20(24)19-12(3)18-16(22-19)9-14(10-17(18)23)13-5-7-15(21)8-6-13/h5-8,11,14,22H,4,9-10H2,1-3H3