[aminomethyl-[1,2-bis(oxidanyl)hexadecyl]amino] 4-tert-butylbenzoate

Systemtic Name: [aminomethyl-[1,2-bis(oxidanyl)hexadecyl]amino] 4-tert-butylbenzoate Openeye Name: [aminomethyl(1,2-dihydroxyhexadecyl)amino] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [aminomethyl(1,2-dihydroxyhexadecyl)amino] ester IUPAC Name: [aminomethyl(1,2-dihydroxyhexadecyl)amino] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [aminomethyl(1,2-dihydroxyhexadecyl)amino] ester Formula: C28H50N2O4 MolecularWeight: 478.7076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(N(CN)OC(=O)C1=CC=C(C=C1)C(C)(C)C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C(N(CN)OC(=O)C1=CC=C(C=C1)C(C)(C)C)O)O

InChI

InChI=1S/C28H50N2O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25(31)26(32)30(22-29)34-27(33)23-18-20-24(21-19-23)28(2,3)4/h18-21,25-26,31-32H,5-17,22,29H2,1-4H3