ditert-butyl 4-[(phenylmethyl)amino]-2,5-dihydropyrrole-1,3-dicarboxylate

Systemtic Name: ditert-butyl 4-[(phenylmethyl)amino]-2,5-dihydropyrrole-1,3-dicarboxylate Openeye Name: ditert-butyl 4-(benzylamino)-2,5-dihydropyrrole-1,3-dicarboxylate CAS Name: 4-[(phenylmethyl)amino]-2,5-dihydropyrrole-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-(benzylamino)-2,5-dihydropyrrole-1,3-dicarboxylate Traditional Name: 4-(benzylamino)-3-pyrroline-1,3-dicarboxylic acid ditert-butyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CN(C1)C(=O)OC(C)(C)C)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CN(C1)C(=O)OC(C)(C)C)NCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O4/c1-20(2,3)26-18(24)16-13-23(19(25)27-21(4,5)6)14-17(16)22-12-15-10-8-7-9-11-15/h7-11,22H,12-14H2,1-6H3