ethyl 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-(cyclohexylcarbamoyl)-4-methyl-2-phenyl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-(cyclohexylcarbamoyl)-4-methyl-2-phenyl-pyrrolidine-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-(cyclohexylcarbamoyl)-4-methyl-2-phenyl-pyrrolidine-3-carboxylate CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1-[(cyclohexylamino)-oxomethyl]-4-methyl-2-phenyl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-(cyclohexylcarbamoyl)-4-methyl-2-phenylpyrrolidine-3-carboxylate Traditional Name: 1-(cyclohexylcarbamoyl)-4-methyl-2-phenyl-5-(piperonylcarbamoyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C30H37N3O6 MolecularWeight: 535.63128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(N(C1C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCOC(=O)C1C(C(N(C1C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C30H37N3O6/c1-3-37-29(35)25-19(2)26(28(34)31-17-20-14-15-23-24(16-20)39-18-38-23)33(27(25)21-10-6-4-7-11-21)30(36)32-22-12-8-5-9-13-22/h4,6-7,10-11,14-16,19,22,25-27H,3,5,8-9,12-13,17-18H2,1-2H3,(H,31,34)(H,32,36)