methyl (2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxidanylidene-1-(2-propoxyethyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl (2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxidanylidene-1-(2-propoxyethyl)pyrrolidine-3-carboxylate Openeye Name: methyl (2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylate CAS Name: (2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-1-(2-propoxyethyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-1-(2-propoxyethyl)pyrrolidine-3-carboxylate Traditional Name: (2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-5-keto-2-(4-methoxyphenyl)-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C25H29NO7 MolecularWeight: 455.50026

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCN1C(C(C(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCOCCN1[C@H]([C@H]([C@H](C1=O)C2=CC3=C(C=C2)OCO3)C(=O)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29NO7/c1-4-12-31-13-11-26-23(16-5-8-18(29-2)9-6-16)22(25(28)30-3)21(24(26)27)17-7-10-19-20(14-17)33-15-32-19/h5-10,14,21-23H,4,11-13,15H2,1-3H3/t21-,22+,23+/m1/s1