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

Systemtic Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]pyrrolidine-3-carboxylate Openeye Name: ethyl (2R,3R,4S)-1-[2-(allylamino)-2-oxo-ethyl]-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate CAS Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-3-carboxylate Traditional Name: (2R,3R,4S)-1-[2-(allylamino)-2-keto-ethyl]-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CN(C1C2=CC=C(C=C2)OC)CC(=O)NCC=C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CN([C@H]1C2=CC=C(C=C2)OC)CC(=O)NCC=C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H30N2O6/c1-4-12-27-23(29)15-28-14-20(18-8-11-21-22(13-18)34-16-33-21)24(26(30)32-5-2)25(28)17-6-9-19(31-3)10-7-17/h4,6-11,13,20,24-25H,1,5,12,14-16H2,2-3H3,(H,27,29)/t20-,24-,25+/m1/s1