4-[3-[[heptan-4-yl(2-phenylethanoyl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 4-[3-[[heptan-4-yl(2-phenylethanoyl)amino]methyl]phenyl]benzoic acid Openeye Name: 4-[3-[[(2-phenylacetyl)-(1-propylbutyl)amino]methyl]phenyl]benzoic acid CAS Name: 4-[3-[[heptan-4-yl-(1-oxo-2-phenylethyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 4-[3-[[heptan-4-yl-(2-phenylacetyl)amino]methyl]phenyl]benzoic acid Traditional Name: 4-[3-[[(2-phenylacetyl)-(1-propylbutyl)amino]methyl]phenyl]benzoic acid Formula: C29H33NO3 MolecularWeight: 443.57722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N(CC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)O)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCC(CCC)N(CC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)O)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C29H33NO3/c1-3-9-27(10-4-2)30(28(31)20-22-11-6-5-7-12-22)21-23-13-8-14-26(19-23)24-15-17-25(18-16-24)29(32)33/h5-8,11-19,27H,3-4,9-10,20-21H2,1-2H3,(H,32,33)