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methyl 2,4-dimethyl-5-[[(E)-octadec-9-enoyl]amino]benzoate

methyl 2,4-dimethyl-5-[[(E)-octadec-9-enoyl]amino]benzoate

Systemtic Name:methyl 2,4-dimethyl-5-[[(E)-octadec-9-enoyl]amino]benzoate
Openeye Name:methyl 2,4-dimethyl-5-[[(E)-octadec-9-enoyl]amino]benzoate
CAS Name:2,4-dimethyl-5-[[(E)-1-oxooctadec-9-enyl]amino]benzoic acid methyl ester
IUPAC Name:methyl 2,4-dimethyl-5-[[(E)-octadec-9-enoyl]amino]benzoate
Traditional Name:2,4-dimethyl-5-[[(E)-octadec-9-enoyl]amino]benzoic acid methyl ester
Formula: C28H45NO3
MolecularWeight: 443.6618
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=C(C=C(C(=C1)C(=O)OC)C)C


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=C(C=C(C(=C1)C(=O)OC)C)C


InChI

InChI=1S/C28H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)29-26-22-25(28(31)32-4)23(2)21-24(26)3/h12-13,21-22H,5-11,14-20H2,1-4H3,(H,29,30)/b13-12+


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