3-[[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-naphthalen-2-ylsulfonyl-methyl]benzoic acid

Systemtic Name: 3-[[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-naphthalen-2-ylsulfonyl-methyl]benzoic acid Openeye Name: 3-[(4-tert-butoxypyrrolidin-2-yl)methoxy-(2-naphthylsulfonyl)methyl]benzoic acid CAS Name: 3-[[4-[(2-methylpropan-2-yl)oxy]-2-pyrrolidinyl]methoxy-(2-naphthalenylsulfonyl)methyl]benzoic acid IUPAC Name: 3-[[4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-naphthalen-2-ylsulfonylmethyl]benzoic acid Traditional Name: 3-[(4-tert-butoxypyrrolidin-2-yl)methoxy-(2-naphthylsulfonyl)methyl]benzoic acid Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1CC(NC1)COC(C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)OC1CC(NC1)COC(C2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31NO6S/c1-27(2,3)34-23-15-22(28-16-23)17-33-26(21-10-6-9-20(13-21)25(29)30)35(31,32)24-12-11-18-7-4-5-8-19(18)14-24/h4-14,22-23,26,28H,15-17H2,1-3H3,(H,29,30)