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3-[3-[[butyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid

3-[3-[[butyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid

Systemtic Name:3-[3-[[butyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid
Openeye Name:3-[3-[[butyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid
CAS Name:3-[3-[[butyl-(1-oxo-3-phenylpropyl)amino]methyl]phenyl]benzoic acid
IUPAC Name:3-[3-[[butyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid
Traditional Name:3-[3-[[butyl(hydrocinnamoyl)amino]methyl]phenyl]benzoic acid
Formula: C27H29NO3
MolecularWeight: 415.52406
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O)C(=O)CCC3=CC=CC=C3


Isomeric SMILES

CCCCN(CC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O)C(=O)CCC3=CC=CC=C3


InChI

InChI=1S/C27H29NO3/c1-2-3-17-28(26(29)16-15-21-9-5-4-6-10-21)20-22-11-7-12-23(18-22)24-13-8-14-25(19-24)27(30)31/h4-14,18-19H,2-3,15-17,20H2,1H3,(H,30,31)


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