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3-[4-(octadecanoylamino)phenyl]-3-oxidanylidene-propanoic acid

3-[4-(octadecanoylamino)phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name:3-[4-(octadecanoylamino)phenyl]-3-oxidanylidene-propanoic acid
Openeye Name:3-[4-(octadecanoylamino)phenyl]-3-oxo-propanoic acid
CAS Name:3-oxo-3-[4-(1-oxooctadecylamino)phenyl]propanoic acid
IUPAC Name:3-[4-(octadecanoylamino)phenyl]-3-oxopropanoic acid
Traditional Name:3-keto-3-(4-stearamidophenyl)propionic acid
Formula: C27H43NO4
MolecularWeight: 445.63462
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)CC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)CC(=O)O


InChI

InChI=1S/C27H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-24-20-18-23(19-21-24)25(29)22-27(31)32/h18-21H,2-17,22H2,1H3,(H,28,30)(H,31,32)


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