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

Systemtic Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-hexyl-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-hexyl-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-hexyl-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-hexyl-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-hexyl-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCN1C[C@@H]([C@@H]([C@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H31NO5/c1-3-4-5-6-13-26-15-20(18-9-12-21-22(14-18)31-16-30-21)23(25(27)28)24(26)17-7-10-19(29-2)11-8-17/h7-12,14,20,23-24H,3-6,13,15-16H2,1-2H3,(H,27,28)/t20-,23+,24-/m1/s1