(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylic acid Openeye Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-benzyl-2-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-benzyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid Traditional Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-benzyl-5-keto-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C26H23NO6 MolecularWeight: 445.46392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(C(=O)N2CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](C(=O)N2CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C26H23NO6/c1-31-19-10-7-17(8-11-19)24-23(26(29)30)22(18-9-12-20-21(13-18)33-15-32-20)25(28)27(24)14-16-5-3-2-4-6-16/h2-13,22-24H,14-15H2,1H3,(H,29,30)/t22-,23-,24+/m1/s1