ethyl (2E)-2-(2-azanyl-4-oxidanylidene-1H-imidazol-5-ylidene)-6-phenyl-hexanoate

Systemtic Name: ethyl (2E)-2-(2-azanyl-4-oxidanylidene-1H-imidazol-5-ylidene)-6-phenyl-hexanoate Openeye Name: ethyl (2E)-2-(2-amino-4-oxo-1H-imidazol-5-ylidene)-6-phenyl-hexanoate CAS Name: (2E)-2-(2-amino-4-oxo-1H-imidazol-5-ylidene)-6-phenylhexanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-(2-amino-4-oxo-1H-imidazol-5-ylidene)-6-phenylhexanoate Traditional Name: (2E)-2-(2-amino-5-keto-2-imidazolin-4-ylidene)-6-phenyl-hexanoic acid ethyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C(=O)N=C(N1)N)CCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C/1\C(=O)N=C(N1)N)/CCCCC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O3/c1-2-23-16(22)13(14-15(21)20-17(18)19-14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H3,18,19,20,21)/b14-13+