ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-methylpentyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-methylpentyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-methylpentyl)pyrrolidine-3-carboxylate CAS Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-methylpentyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-methylpentyl)pyrrolidine-3-carboxylate Traditional Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-methylpentyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC1C(C(CN1)C2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CCCC(C)C[C@H]1[C@@H]([C@H](CN1)C2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

InChI=1S/C20H29NO4/c1-4-6-13(3)9-16-19(20(22)23-5-2)15(11-21-16)14-7-8-17-18(10-14)25-12-24-17/h7-8,10,13,15-16,19,21H,4-6,9,11-12H2,1-3H3/t13?,15-,16+,19-/m1/s1