[4-[(E)-3-(octadecylamino)-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate

Systemtic Name: [4-[(E)-3-(octadecylamino)-3-oxidanylidene-prop-1-enyl]phenyl] ethanoate Openeye Name: [4-[(E)-3-(octadecylamino)-3-oxo-prop-1-enyl]phenyl] acetate CAS Name: acetic acid [4-[(E)-3-(octadecylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(octadecylamino)-3-oxoprop-1-enyl]phenyl] acetate Traditional Name: acetic acid [4-[(E)-3-keto-3-(stearylamino)prop-1-enyl]phenyl] ester Formula: C29H47NO3 MolecularWeight: 457.68838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C=CC1=CC=C(C=C1)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)/C=C/C1=CC=C(C=C1)OC(=O)C

InChI

InChI=1S/C29H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-29(32)24-21-27-19-22-28(23-20-27)33-26(2)31/h19-24H,3-18,25H2,1-2H3,(H,30,32)/b24-21+