hexadecyl 4-[[3-(1-butyl-3-methyl-2-oxidanylidene-5-phenyl-imidazol-4-yl)-3-oxidanylidene-propanoyl]amino]-3-propan-2-yloxy-benzoate

Systemtic Name: hexadecyl 4-[[3-(1-butyl-3-methyl-2-oxidanylidene-5-phenyl-imidazol-4-yl)-3-oxidanylidene-propanoyl]amino]-3-propan-2-yloxy-benzoate Openeye Name: hexadecyl 4-[[3-(1-butyl-3-methyl-2-oxo-5-phenyl-imidazol-4-yl)-3-oxo-propanoyl]amino]-3-isopropoxy-benzoate CAS Name: 4-[[3-(1-butyl-3-methyl-2-oxo-5-phenyl-4-imidazolyl)-1,3-dioxopropyl]amino]-3-propan-2-yloxybenzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-[[3-(1-butyl-3-methyl-2-oxo-5-phenylimidazol-4-yl)-3-oxopropanoyl]amino]-3-propan-2-yloxybenzoate Traditional Name: 4-[[3-(1-butyl-2-keto-3-methyl-5-phenyl-4-imidazolin-4-yl)-3-keto-propanoyl]amino]-3-isopropoxy-benzoic acid cetyl ester Formula: C43H63N3O6 MolecularWeight: 717.97682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)NC(=O)CC(=O)C2=C(N(C(=O)N2C)CCCC)C3=CC=CC=C3)OC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)NC(=O)CC(=O)C2=C(N(C(=O)N2C)CCCC)C3=CC=CC=C3)OC(C)C

InChI

InChI=1S/C43H63N3O6/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-24-30-51-42(49)35-27-28-36(38(31-35)52-33(3)4)44-39(48)32-37(47)41-40(34-25-22-21-23-26-34)46(29-9-7-2)43(50)45(41)5/h21-23,25-28,31,33H,6-20,24,29-30,32H2,1-5H3,(H,44,48)