tert-butyl 4-cyano-1-[2-[(phenylmethyl)amino]ethyl]pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-cyano-1-[2-[(phenylmethyl)amino]ethyl]pyrrole-2-carboxylate Openeye Name: tert-butyl 1-[2-(benzylamino)ethyl]-4-cyano-pyrrole-2-carboxylate CAS Name: 4-cyano-1-[2-[(phenylmethyl)amino]ethyl]-2-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(benzylamino)ethyl]-4-cyanopyrrole-2-carboxylate Traditional Name: 1-[2-(benzylamino)ethyl]-4-cyano-pyrrole-2-carboxylic acid tert-butyl ester Formula: C19H23N3O2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CN1CCNCC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CN1CCNCC2=CC=CC=C2)C#N

InChI

InChI=1S/C19H23N3O2/c1-19(2,3)24-18(23)17-11-16(12-20)14-22(17)10-9-21-13-15-7-5-4-6-8-15/h4-8,11,14,21H,9-10,13H2,1-3H3