tert-butyl 4-(aminomethyl)-1-(2-azanyl-4-methoxycarbonyl-phenyl)-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 4-(aminomethyl)-1-(2-azanyl-4-methoxycarbonyl-phenyl)-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-(2-amino-4-methoxycarbonyl-phenyl)-4-(aminomethyl)-5-oxo-pyrrolidine-2-carboxylate CAS Name: 1-(2-amino-4-methoxycarbonylphenyl)-4-(aminomethyl)-5-oxo-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-amino-4-methoxycarbonylphenyl)-4-(aminomethyl)-5-oxopyrrolidine-2-carboxylate Traditional Name: 1-(2-amino-4-carbomethoxy-phenyl)-4-(aminomethyl)-5-keto-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(C(=O)N1C2=C(C=C(C=C2)C(=O)OC)N)CN

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(C(=O)N1C2=C(C=C(C=C2)C(=O)OC)N)CN

InChI

InChI=1S/C18H25N3O5/c1-18(2,3)26-17(24)14-8-11(9-19)15(22)21(14)13-6-5-10(7-12(13)20)16(23)25-4/h5-7,11,14H,8-9,19-20H2,1-4H3