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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCC1C(C(CN1)C2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4/c1-4-14(5-2)7-9-17-20(21(23)24-6-3)16(12-22-17)15-8-10-18-19(11-15)26-13-25-18/h8,10-11,14,16-17,20,22H,4-7,9,12-13H2,1-3H3/t16-,17+,20-/m1/s1