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3-[methylcarbamoyl(phenethyl)carbamoyl]octadecanoic acid

3-[methylcarbamoyl(phenethyl)carbamoyl]octadecanoic acid

Systemtic Name:3-[methylcarbamoyl(phenethyl)carbamoyl]octadecanoic acid
Openeye Name:3-[methylcarbamoyl(phenethyl)carbamoyl]octadecanoic acid
CAS Name:3-[[methylcarbamoyl(phenethyl)amino]-oxomethyl]octadecanoic acid
IUPAC Name:3-[methylcarbamoyl(phenethyl)carbamoyl]octadecanoic acid
Traditional Name:3-[methylcarbamoyl(phenethyl)carbamoyl]stearic acid
Formula: C29H48N2O4
MolecularWeight: 488.70242
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)O)C(=O)N(CCC1=CC=CC=C1)C(=O)NC


Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)O)C(=O)N(CCC1=CC=CC=C1)C(=O)NC


InChI

InChI=1S/C29H48N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26(24-27(32)33)28(34)31(29(35)30-2)23-22-25-19-16-15-17-20-25/h15-17,19-20,26H,3-14,18,21-24H2,1-2H3,(H,30,35)(H,32,33)


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