(3,3-dimethyl-2-oxidanylidene-butyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C23H27NO6S/c1-23(2,3)21(25)15-30-22(26)17-11-12-19(29-4)20(14-17)31(27,28)24-13-7-9-16-8-5-6-10-18(16)24/h5-6,8,10-12,14H,7,9,13,15H2,1-4H3