ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylanilino)-2-oxo-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate CAS Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylanilino)-2-keto-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C31H34N2O6 MolecularWeight: 530.61146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CN(C1C2=CC=C(C=C2)OC)CC(=O)NC3=CC(=C(C=C3)C)C)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CN([C@H]1C2=CC=C(C=C2)OC)CC(=O)NC3=CC(=C(C=C3)C)C)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H34N2O6/c1-5-37-31(35)29-25(22-9-13-26-27(15-22)39-18-38-26)16-33(30(29)21-7-11-24(36-4)12-8-21)17-28(34)32-23-10-6-19(2)20(3)14-23/h6-15,25,29-30H,5,16-18H2,1-4H3,(H,32,34)/t25-,29-,30+/m1/s1