(phenylmethyl) N-[4-[(E)-3-chloranyl-3-oxidanylidene-prop-1-enyl]phenyl]-N-hexadecyl-carbamate

Systemtic Name: (phenylmethyl) N-[4-[(E)-3-chloranyl-3-oxidanylidene-prop-1-enyl]phenyl]-N-hexadecyl-carbamate Openeye Name: benzyl N-[4-[(E)-3-chloro-3-oxo-prop-1-enyl]phenyl]-N-hexadecyl-carbamate CAS Name: N-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl]-N-hexadecylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl]-N-hexadecylcarbamate Traditional Name: N-cetyl-N-[4-[(E)-3-chloro-3-keto-prop-1-enyl]phenyl]carbamic acid benzyl ester Formula: C33H46ClNO3 MolecularWeight: 540.17624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C1=CC=C(C=C1)C=CC(=O)Cl)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C1=CC=C(C=C1)/C=C/C(=O)Cl)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C33H46ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27-35(33(37)38-28-30-19-16-15-17-20-30)31-24-21-29(22-25-31)23-26-32(34)36/h15-17,19-26H,2-14,18,27-28H2,1H3/b26-23+