tert-butyl 2-[(4-cyanophenyl)methylcarbamoyl]-2,5-dihydropyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(4-cyanophenyl)methylcarbamoyl]-2,5-dihydropyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(4-cyanophenyl)methylcarbamoyl]-2,5-dihydropyrrole-1-carboxylate CAS Name: 2-[[(4-cyanophenyl)methylamino]-oxomethyl]-2,5-dihydropyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-cyanophenyl)methylcarbamoyl]-2,5-dihydropyrrole-1-carboxylate Traditional Name: 2-[(4-cyanobenzyl)carbamoyl]-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC=CC1C(=O)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC=CC1C(=O)NCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H21N3O3/c1-18(2,3)24-17(23)21-10-4-5-15(21)16(22)20-12-14-8-6-13(11-19)7-9-14/h4-9,15H,10,12H2,1-3H3,(H,20,22)