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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CNC1CCCC(C)C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CN[C@H]1CCCC(C)C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H29NO4/c1-4-23-20(22)19-15(11-21-16(19)7-5-6-13(2)3)14-8-9-17-18(10-14)25-12-24-17/h8-10,13,15-16,19,21H,4-7,11-12H2,1-3H3/t15-,16+,19-/m1/s1