ethyl 2-[2-methyl-4-[[(E)-octadec-9-enoyl]amino]phenyl]ethanoate

Systemtic Name: ethyl 2-[2-methyl-4-[[(E)-octadec-9-enoyl]amino]phenyl]ethanoate Openeye Name: ethyl 2-[2-methyl-4-[[(E)-octadec-9-enoyl]amino]phenyl]acetate CAS Name: 2-[2-methyl-4-[[(E)-1-oxooctadec-9-enyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-methyl-4-[[(E)-octadec-9-enoyl]amino]phenyl]acetate Traditional Name: 2-[2-methyl-4-[[(E)-octadec-9-enoyl]amino]phenyl]acetic acid ethyl ester Formula: C29H47NO3 MolecularWeight: 457.68838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=CC(=C(C=C1)CC(=O)OCC)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=CC(=C(C=C1)CC(=O)OCC)C

InChI

InChI=1S/C29H47NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(31)30-27-22-21-26(25(3)23-27)24-29(32)33-5-2/h12-13,21-23H,4-11,14-20,24H2,1-3H3,(H,30,31)/b13-12+