3-[3-[[pentanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 3-[3-[[pentanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoic acid Openeye Name: 3-[3-[[pentanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoic acid CAS Name: 3-[3-[[1-oxopentyl(3-phenylpropyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 3-[3-[[pentanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoic acid Traditional Name: 3-[3-[[3-phenylpropyl(valeryl)amino]methyl]phenyl]benzoic acid Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCCC1=CC=CC=C1)CC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CCCC1=CC=CC=C1)CC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C28H31NO3/c1-2-3-17-27(30)29(18-9-13-22-10-5-4-6-11-22)21-23-12-7-14-24(19-23)25-15-8-16-26(20-25)28(31)32/h4-8,10-12,14-16,19-20H,2-3,9,13,17-18,21H2,1H3,(H,31,32)