(2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-(3-ethylpentyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-(3-ethylpentyl)pyrrolidine-3-carboxylic acid Openeye Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]-2-(3-ethylpentyl)pyrrolidine-3-carboxylic acid CAS Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(3-ethylpentyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(3-ethylpentyl)pyrrolidine-3-carboxylic acid Traditional Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-keto-ethyl]-2-(3-ethylpentyl)pyrrolidine-3-carboxylic acid Formula: C29H46N2O5 MolecularWeight: 502.68594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CN1CC(C(C1CCC(CC)CC)C(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCC(CC)CC)C(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C29H46N2O5/c1-5-9-15-30(16-10-6-2)27(32)19-31-18-23(22-12-14-25-26(17-22)36-20-35-25)28(29(33)34)24(31)13-11-21(7-3)8-4/h12,14,17,21,23-24,28H,5-11,13,15-16,18-20H2,1-4H3,(H,33,34)/t23-,24+,28-/m1/s1