2-[[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl]-methyl-amino]ethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-[[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl]-methyl-amino]ethyl 3-oxidanylidenebutanoate Openeye Name: 2-[[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]allyl]-methyl-amino]ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-[[(E)-3-[4-(1-imidazolylmethyl)phenyl]prop-2-enyl]-methylamino]ethyl ester IUPAC Name: 2-[[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl]-methylamino]ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-[[(E)-3-[4-(imidazol-1-ylmethyl)phenyl]allyl]-methyl-amino]ethyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCN(C)CC=CC1=CC=C(C=C1)CN2C=CN=C2

Isomeric SMILES

CC(=O)CC(=O)OCCN(C)C/C=C/C1=CC=C(C=C1)CN2C=CN=C2

InChI

InChI=1S/C20H25N3O3/c1-17(24)14-20(25)26-13-12-22(2)10-3-4-18-5-7-19(8-6-18)15-23-11-9-21-16-23/h3-9,11,16H,10,12-15H2,1-2H3/b4-3+