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

Systemtic Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-phenacyl-pyrrolidine-3-carboxylic acid Openeye Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-phenacyl-pyrrolidine-3-carboxylic acid CAS Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-phenacyl-3-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-phenacylpyrrolidine-3-carboxylic acid Traditional Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-phenacyl-pyrrolidine-3-carboxylic acid Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(CN2CC(=O)C3=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](CN2CC(=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C27H25NO6/c1-32-20-10-7-18(8-11-20)26-25(27(30)31)21(19-9-12-23-24(13-19)34-16-33-23)14-28(26)15-22(29)17-5-3-2-4-6-17/h2-13,21,25-26H,14-16H2,1H3,(H,30,31)/t21-,25+,26-/m1/s1