ditert-butyl 2-[aminocarbonyl-(4-azanyl-3-methyl-phenyl)amino]pentanedioate

Systemtic Name: ditert-butyl 2-[aminocarbonyl-(4-azanyl-3-methyl-phenyl)amino]pentanedioate Openeye Name: ditert-butyl 2-(4-amino-N-carbamoyl-3-methyl-anilino)pentanedioate CAS Name: 2-(4-amino-N-carbamoyl-3-methylanilino)pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(4-amino-N-carbamoyl-3-methylanilino)pentanedioate Traditional Name: 2-(4-amino-N-carbamoyl-3-methyl-anilino)glutaric acid ditert-butyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(C(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N)N

Isomeric SMILES

CC1=C(C=CC(=C1)N(C(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N)N

InChI

InChI=1S/C21H33N3O5/c1-13-12-14(8-9-15(13)22)24(19(23)27)16(18(26)29-21(5,6)7)10-11-17(25)28-20(2,3)4/h8-9,12,16H,10-11,22H2,1-7H3,(H2,23,27)