(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C29H33NO4S MolecularWeight: 491.64162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)C)C(C)(C)C

InChI

InChI=1S/C29H33NO4S/c1-20-17-24(29(3,4)5)18-21(2)26(20)19-34-28(31)23-12-14-25(15-13-23)35(32,33)30-16-8-10-22-9-6-7-11-27(22)30/h6-7,9,11-15,17-18H,8,10,16,19H2,1-5H3