ethyl (1E)-1-imidazol-4-ylidene-3-[methyl(oxidanyl)amino]-5-(3-phenylpropoxy)indene-2-carboxylate

Systemtic Name: ethyl (1E)-1-imidazol-4-ylidene-3-[methyl(oxidanyl)amino]-5-(3-phenylpropoxy)indene-2-carboxylate Openeye Name: ethyl (1E)-3-[hydroxy(methyl)amino]-1-imidazol-4-ylidene-5-(3-phenylpropoxy)indene-2-carboxylate CAS Name: (1E)-3-[hydroxy(methyl)amino]-1-(4-imidazolylidene)-5-(3-phenylpropoxy)-2-indenecarboxylic acid ethyl ester IUPAC Name: ethyl (1E)-3-[hydroxy(methyl)amino]-1-imidazol-4-ylidene-5-(3-phenylpropoxy)indene-2-carboxylate Traditional Name: (1E)-3-[hydroxy(methyl)amino]-1-imidazol-4-ylidene-5-(3-phenylpropoxy)indene-2-carboxylic acid ethyl ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C1=C3C=NC=N3)C=CC(=C2)OCCCC4=CC=CC=C4)N(C)O

Isomeric SMILES

CCOC(=O)C\1=C(C2=C(/C1=C\3/C=NC=N3)C=CC(=C2)OCCCC4=CC=CC=C4)N(C)O

InChI

InChI=1S/C25H25N3O4/c1-3-31-25(29)23-22(21-15-26-16-27-21)19-12-11-18(14-20(19)24(23)28(2)30)32-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,14-16,30H,3,7,10,13H2,1-2H3/b22-21+