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2-[methyl-[(E)-octadec-9-enoyl]amino]ethyl benzoate

2-[methyl-[(E)-octadec-9-enoyl]amino]ethyl benzoate

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

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N(C)CCOC(=O)C1=CC=CC=C1


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N(C)CCOC(=O)C1=CC=CC=C1


InChI

InChI=1S/C28H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(30)29(2)24-25-32-28(31)26-21-18-17-19-22-26/h10-11,17-19,21-22H,3-9,12-16,20,23-25H2,1-2H3/b11-10+


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