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

Systemtic Name: hexadecyl 4-[[3-(3-butyl-2-oxidanylidene-4-phenyl-1H-imidazol-5-yl)-3-oxidanylidene-propanoyl]amino]-3-propan-2-yloxy-benzoate Openeye Name: hexadecyl 4-[[3-(3-butyl-2-oxo-4-phenyl-1H-imidazol-5-yl)-3-oxo-propanoyl]amino]-3-isopropoxy-benzoate CAS Name: 4-[[3-(3-butyl-2-oxo-4-phenyl-1H-imidazol-5-yl)-1,3-dioxopropyl]amino]-3-propan-2-yloxybenzoic acid hexadecyl ester IUPAC Name: hexadecyl 4-[[3-(3-butyl-2-oxo-4-phenyl-1H-imidazol-5-yl)-3-oxopropanoyl]amino]-3-propan-2-yloxybenzoate Traditional Name: 4-[[3-(1-butyl-2-keto-5-phenyl-4-imidazolin-4-yl)-3-keto-propanoyl]amino]-3-isopropoxy-benzoic acid cetyl ester Formula: C42H61N3O6 MolecularWeight: 703.95024

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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)N2)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)N2)CCCC)C3=CC=CC=C3)OC(C)C

InChI

InChI=1S/C42H61N3O6/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-23-29-50-41(48)34-26-27-35(37(30-34)51-32(3)4)43-38(47)31-36(46)39-40(33-24-21-20-22-25-33)45(28-8-6-2)42(49)44-39/h20-22,24-27,30,32H,5-19,23,28-29,31H2,1-4H3,(H,43,47)(H,44,49)