methyl 2-[4-[[5-[(E)-2-azido-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-propyl-imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[5-[(E)-2-azido-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-propyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[5-[(E)-2-azido-3-methoxy-3-oxo-prop-1-enyl]-2-propyl-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[5-[(E)-2-azido-3-methoxy-3-oxoprop-1-enyl]-2-propyl-1-imidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[5-[(E)-2-azido-3-methoxy-3-oxoprop-1-enyl]-2-propylimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[5-[(E)-2-azido-3-keto-3-methoxy-prop-1-enyl]-2-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C=C(C(=O)OC)N=[N+]=[N-]

Isomeric SMILES

CCCC1=NC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)/C=C(\C(=O)OC)/N=[N+]=[N-]

InChI

InChI=1S/C25H25N5O4/c1-4-7-23-27-15-19(14-22(28-29-26)25(32)34-3)30(23)16-17-10-12-18(13-11-17)20-8-5-6-9-21(20)24(31)33-2/h5-6,8-15H,4,7,16H2,1-3H3/b22-14+