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3-[4-[3-[(octanoylamino)methyl]phenyl]phenyl]propanoic acid

3-[4-[3-[(octanoylamino)methyl]phenyl]phenyl]propanoic acid

Systemtic Name:3-[4-[3-[(octanoylamino)methyl]phenyl]phenyl]propanoic acid
Openeye Name:3-[4-[3-[(octanoylamino)methyl]phenyl]phenyl]propanoic acid
CAS Name:3-[4-[3-[(1-oxooctylamino)methyl]phenyl]phenyl]propanoic acid
IUPAC Name:3-[4-[3-[(octanoylamino)methyl]phenyl]phenyl]propanoic acid
Traditional Name:3-[4-[3-[(caprylylamino)methyl]phenyl]phenyl]propionic acid
Formula: C24H31NO3
MolecularWeight: 381.50784
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)CCC(=O)O


Isomeric SMILES

CCCCCCCC(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)CCC(=O)O


InChI

InChI=1S/C24H31NO3/c1-2-3-4-5-6-10-23(26)25-18-20-8-7-9-22(17-20)21-14-11-19(12-15-21)13-16-24(27)28/h7-9,11-12,14-15,17H,2-6,10,13,16,18H2,1H3,(H,25,26)(H,27,28)


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