tert-butyl 2-[[3-(cyclopropylcarbonylamino)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[3-(cyclopropylcarbonylamino)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[3-(cyclopropanecarbonylamino)benzyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=CC(=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=CC(=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H29N3O4/c1-21(2,3)28-20(27)24-11-5-8-17(24)19(26)22-13-14-6-4-7-16(12-14)23-18(25)15-9-10-15/h4,6-7,12,15,17H,5,8-11,13H2,1-3H3,(H,22,26)(H,23,25)