(3-methoxycarbonylphenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (3-carbomethoxybenzyl) ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23NO7S/c1-27-18-9-8-17(13-19(18)30(25,26)22-10-3-4-11-22)21(24)29-14-15-6-5-7-16(12-15)20(23)28-2/h5-9,12-13H,3-4,10-11,14H2,1-2H3