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3-[3-[[heptan-4-yl(phenylcarbonyl)amino]methyl]phenyl]benzoic acid

3-[3-[[heptan-4-yl(phenylcarbonyl)amino]methyl]phenyl]benzoic acid

Systemtic Name:3-[3-[[heptan-4-yl(phenylcarbonyl)amino]methyl]phenyl]benzoic acid
Openeye Name:3-[3-[[benzoyl(1-propylbutyl)amino]methyl]phenyl]benzoic acid
CAS Name:3-[3-[[benzoyl(heptan-4-yl)amino]methyl]phenyl]benzoic acid
IUPAC Name:3-[3-[[benzoyl(heptan-4-yl)amino]methyl]phenyl]benzoic acid
Traditional Name:3-[3-[[benzoyl(1-propylbutyl)amino]methyl]phenyl]benzoic acid
Formula: C28H31NO3
MolecularWeight: 429.55064
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N(CC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O)C(=O)C3=CC=CC=C3


Isomeric SMILES

CCCC(CCC)N(CC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O)C(=O)C3=CC=CC=C3


InChI

InChI=1S/C28H31NO3/c1-3-10-26(11-4-2)29(27(30)22-13-6-5-7-14-22)20-21-12-8-15-23(18-21)24-16-9-17-25(19-24)28(31)32/h5-9,12-19,26H,3-4,10-11,20H2,1-2H3,(H,31,32)


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