(4-tert-butylphenyl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (4-tert-butylphenyl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid (4-tert-butylbenzyl) ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C28H31NO5S/c1-28(2,3)23-14-11-20(12-15-23)19-34-27(30)22-13-16-25(33-4)26(18-22)35(31,32)29-17-7-9-21-8-5-6-10-24(21)29/h5-6,8,10-16,18H,7,9,17,19H2,1-4H3