O3-tert-butyl O1-ethyl 2-[4-(hexadecylamino)phenyl]carbonylpropanedioate

Systemtic Name: O3-tert-butyl O1-ethyl 2-[4-(hexadecylamino)phenyl]carbonylpropanedioate Openeye Name: O1-tert-butyl O3-ethyl 2-[4-(hexadecylamino)benzoyl]propanedioate CAS Name: 2-[[4-(hexadecylamino)phenyl]-oxomethyl]propanedioic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 2-[4-(hexadecylamino)benzoyl]propanedioate Traditional Name: 2-[4-(cetylamino)benzoyl]malonic acid O1-tert-butyl ester O3-ethyl ester Formula: C32H53NO5 MolecularWeight: 531.76692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)OCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)OCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H53NO5/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-25-33-27-23-21-26(22-24-27)29(34)28(30(35)37-7-2)31(36)38-32(3,4)5/h21-24,28,33H,6-20,25H2,1-5H3