O4-[(3S,4S)-4-(4-methoxy-4-oxidanylidene-butanoyl)oxy-1-(phenylmethyl)pyrrolidin-3-yl] O1-methyl butanedioate

Systemtic Name: O4-[(3S,4S)-4-(4-methoxy-4-oxidanylidene-butanoyl)oxy-1-(phenylmethyl)pyrrolidin-3-yl] O1-methyl butanedioate Openeye Name: O4-[(3S,4S)-1-benzyl-4-(4-methoxy-4-oxo-butanoyl)oxy-pyrrolidin-3-yl] O1-methyl butanedioate CAS Name: butanedioic acid O4-[(3S,4S)-4-(4-methoxy-1,4-dioxobutoxy)-1-(phenylmethyl)-3-pyrrolidinyl] ester O1-methyl ester IUPAC Name: 4-O-[(3S,4S)-1-benzyl-4-(4-methoxy-4-oxobutanoyl)oxypyrrolidin-3-yl] 1-O-methyl butanedioate Traditional Name: succinic acid O4-[(3S,4S)-1-benzyl-4-(4-keto-4-methoxy-butanoyl)oxy-pyrrolidin-3-yl] ester O1-methyl ester Formula: C21H27NO8 MolecularWeight: 421.44098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)OC1CN(CC1OC(=O)CCC(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)O[C@H]1CN(C[C@@H]1OC(=O)CCC(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C21H27NO8/c1-27-18(23)8-10-20(25)29-16-13-22(12-15-6-4-3-5-7-15)14-17(16)30-21(26)11-9-19(24)28-2/h3-7,16-17H,8-14H2,1-2H3/t16-,17-/m0/s1