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2-[3-(4-octadecoxyphenyl)propanoylamino]benzoic acid

2-[3-(4-octadecoxyphenyl)propanoylamino]benzoic acid

Systemtic Name:2-[3-(4-octadecoxyphenyl)propanoylamino]benzoic acid
Openeye Name:2-[3-(4-octadecoxyphenyl)propanoylamino]benzoic acid
CAS Name:2-[[3-(4-octadecoxyphenyl)-1-oxopropyl]amino]benzoic acid
IUPAC Name:2-[3-(4-octadecoxyphenyl)propanoylamino]benzoic acid
Traditional Name:2-[3-(4-stearyloxyphenyl)propanoylamino]benzoic acid
Formula: C34H51NO4
MolecularWeight: 537.77304
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)O


InChI

InChI=1S/C34H51NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-39-30-25-22-29(23-26-30)24-27-33(36)35-32-21-18-17-20-31(32)34(37)38/h17-18,20-23,25-26H,2-16,19,24,27-28H2,1H3,(H,35,36)(H,37,38)


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