ethyl 5-[(E)-(2-imidazol-1-yl-1,3-diphenyl-propylidene)amino]oxy-3,3-dimethyl-pentanoate

Systemtic Name: ethyl 5-[(E)-(2-imidazol-1-yl-1,3-diphenyl-propylidene)amino]oxy-3,3-dimethyl-pentanoate Openeye Name: ethyl 5-[(E)-(2-imidazol-1-yl-1,3-diphenyl-propylidene)amino]oxy-3,3-dimethyl-pentanoate CAS Name: 5-[(E)-[2-(1-imidazolyl)-1,3-diphenylpropylidene]amino]oxy-3,3-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[(E)-(2-imidazol-1-yl-1,3-diphenylpropylidene)amino]oxy-3,3-dimethylpentanoate Traditional Name: 5-[(E)-(2-imidazol-1-yl-1,3-diphenyl-propylidene)amino]oxy-3,3-dimethyl-valeric acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CCON=C(C1=CC=CC=C1)C(CC2=CC=CC=C2)N3C=CN=C3

Isomeric SMILES

CCOC(=O)CC(C)(C)CCO/N=C(\C1=CC=CC=C1)/C(CC2=CC=CC=C2)N3C=CN=C3

InChI

InChI=1S/C27H33N3O3/c1-4-32-25(31)20-27(2,3)15-18-33-29-26(23-13-9-6-10-14-23)24(30-17-16-28-21-30)19-22-11-7-5-8-12-22/h5-14,16-17,21,24H,4,15,18-20H2,1-3H3/b29-26+