tert-butyl N-[4-[(E)-3-imidazol-1-yl-3-oxidanylidene-prop-1-enyl]phenyl]-N-pentadecyl-carbamate

Systemtic Name: tert-butyl N-[4-[(E)-3-imidazol-1-yl-3-oxidanylidene-prop-1-enyl]phenyl]-N-pentadecyl-carbamate Openeye Name: tert-butyl N-[4-[(E)-3-imidazol-1-yl-3-oxo-prop-1-enyl]phenyl]-N-pentadecyl-carbamate CAS Name: N-[4-[(E)-3-(1-imidazolyl)-3-oxoprop-1-enyl]phenyl]-N-pentadecylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(E)-3-imidazol-1-yl-3-oxoprop-1-enyl]phenyl]-N-pentadecylcarbamate Traditional Name: N-[4-[(E)-3-imidazol-1-yl-3-keto-prop-1-enyl]phenyl]-N-pentadecyl-carbamic acid tert-butyl ester Formula: C32H49N3O3 MolecularWeight: 523.74976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCN(C1=CC=C(C=C1)C=CC(=O)N2C=CN=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCN(C1=CC=C(C=C1)/C=C/C(=O)N2C=CN=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H49N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-35(31(37)38-32(2,3)4)29-21-18-28(19-22-29)20-23-30(36)34-26-24-33-27-34/h18-24,26-27H,5-17,25H2,1-4H3/b23-20+