(2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(ethylamino)-2-oxidanylidene-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(ethylamino)-2-oxidanylidene-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(ethylamino)-2-oxo-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(ethylamino)-2-keto-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCNC(=O)CN1C[C@@H]([C@@H]([C@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N2O6/c1-3-24-20(26)12-25-11-17(15-6-9-18-19(10-15)31-13-30-18)21(23(27)28)22(25)14-4-7-16(29-2)8-5-14/h4-10,17,21-22H,3,11-13H2,1-2H3,(H,24,26)(H,27,28)/t17-,21+,22-/m1/s1