[(2E)-1-[4-(2-benzamidoethyl)phenoxy]-3,7-dimethyl-octa-2,6-dien-4-yl] octadecanoate

Systemtic Name: [(2E)-1-[4-(2-benzamidoethyl)phenoxy]-3,7-dimethyl-octa-2,6-dien-4-yl] octadecanoate Openeye Name: [1-[(E)-3-[4-(2-benzamidoethyl)phenoxy]-1-methyl-prop-1-enyl]-4-methyl-pent-3-enyl] octadecanoate CAS Name: octadecanoic acid [(2E)-1-[4-(2-benzamidoethyl)phenoxy]-3,7-dimethylocta-2,6-dien-4-yl] ester IUPAC Name: [(2E)-1-[4-(2-benzamidoethyl)phenoxy]-3,7-dimethylocta-2,6-dien-4-yl] octadecanoate Traditional Name: stearic acid [1-[(E)-3-[4-(2-benzamidoethyl)phenoxy]-1-methyl-prop-1-enyl]-4-methyl-pent-3-enyl] ester Formula: C43H65NO4 MolecularWeight: 659.9805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CC=C(C)C)C(=CCOC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CC=C(C)C)/C(=C/COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2)/C

InChI

InChI=1S/C43H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-42(45)48-41(31-26-36(2)3)37(4)33-35-47-40-29-27-38(28-30-40)32-34-44-43(46)39-23-20-19-21-24-39/h19-21,23-24,26-30,33,41H,5-18,22,25,31-32,34-35H2,1-4H3,(H,44,46)/b37-33+