ethyl 4-(1,3-benzodioxol-5-yl)-2-(2,2-dimethylpentyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(2,2-dimethylpentyl)pyrrolidine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(2,2-dimethylpentyl)pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(2,2-dimethylpentyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(2,2-dimethylpentyl)pyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(2,2-dimethylpentyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-5-9-21(3,4)11-16-19(20(23)24-6-2)15(12-22-16)14-7-8-17-18(10-14)26-13-25-17/h7-8,10,15-16,19,22H,5-6,9,11-13H2,1-4H3