ethyl 1-(cyclohexylcarbamoyl)-4-methyl-2-phenyl-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl 1-(cyclohexylcarbamoyl)-4-methyl-2-phenyl-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate Openeye Name: ethyl 5-(allylcarbamoyl)-1-(cyclohexylcarbamoyl)-4-methyl-2-phenyl-pyrrolidine-3-carboxylate CAS Name: 1-[(cyclohexylamino)-oxomethyl]-4-methyl-5-[oxo-(prop-2-enylamino)methyl]-2-phenyl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(cyclohexylcarbamoyl)-4-methyl-2-phenyl-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate Traditional Name: 5-(allylcarbamoyl)-1-(cyclohexylcarbamoyl)-4-methyl-2-phenyl-pyrrolidine-3-carboxylic acid ethyl ester Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(N(C1C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)NCC=C)C

Isomeric SMILES

CCOC(=O)C1C(C(N(C1C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)NCC=C)C

InChI

InChI=1S/C25H35N3O4/c1-4-16-26-23(29)21-17(3)20(24(30)32-5-2)22(18-12-8-6-9-13-18)28(21)25(31)27-19-14-10-7-11-15-19/h4,6,8-9,12-13,17,19-22H,1,5,7,10-11,14-16H2,2-3H3,(H,26,29)(H,27,31)