ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-2-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylate

Systemtic Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-2-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylate Openeye Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(2,6-diethylanilino)-2-oxo-ethyl]-2-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylate CAS Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(2,6-diethylanilino)-2-oxoethyl]-2-[4-(2-methoxyethoxy)phenyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(2,6-diethylanilino)-2-oxoethyl]-2-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylate Traditional Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(2,6-diethylanilino)-2-keto-ethyl]-2-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C35H42N2O7 MolecularWeight: 602.71718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CC(C(C2C3=CC=C(C=C3)OCCOC)C(=O)OCC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2C[C@@H]([C@H]([C@@H]2C3=CC=C(C=C3)OCCOC)C(=O)OCC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C35H42N2O7/c1-5-23-9-8-10-24(6-2)33(23)36-31(38)21-37-20-28(26-13-16-29-30(19-26)44-22-43-29)32(35(39)41-7-3)34(37)25-11-14-27(15-12-25)42-18-17-40-4/h8-16,19,28,32,34H,5-7,17-18,20-22H2,1-4H3,(H,36,38)/t28-,32-,34+/m1/s1