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

Systemtic Name: ditert-butyl 2-[aminocarbonyl-[4-[bis(2-hydroxyethyl)amino]-3-methyl-phenyl]amino]pentanedioate Openeye Name: ditert-butyl 2-[4-[bis(2-hydroxyethyl)amino]-N-carbamoyl-3-methyl-anilino]pentanedioate CAS Name: 2-[4-[bis(2-hydroxyethyl)amino]-N-carbamoyl-3-methylanilino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-[bis(2-hydroxyethyl)amino]-N-carbamoyl-3-methylanilino]pentanedioate Traditional Name: 2-[4-[bis(2-hydroxyethyl)amino]-N-carbamoyl-3-methyl-anilino]glutaric acid ditert-butyl ester Formula: C25H41N3O7 MolecularWeight: 495.60894

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(CCO)CCO

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(CCO)CCO

InChI

InChI=1S/C25H41N3O7/c1-17-16-18(8-9-19(17)27(12-14-29)13-15-30)28(23(26)33)20(22(32)35-25(5,6)7)10-11-21(31)34-24(2,3)4/h8-9,16,20,29-30H,10-15H2,1-7H3,(H2,26,33)