5-[[(1-oxidanyl-3-phenyl-propan-2-yl)-pentanoyl-amino]methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[[(1-oxidanyl-3-phenyl-propan-2-yl)-pentanoyl-amino]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[(1-benzyl-2-hydroxy-ethyl)-pentanoyl-amino]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[(1-hydroxy-3-phenylpropan-2-yl)-(1-oxopentyl)amino]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[(1-hydroxy-3-phenylpropan-2-yl)-pentanoylamino]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[(1-benzyl-2-hydroxy-ethyl)-valeryl-amino]methyl]-2-phenyl-benzoic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)O)C(CC3=CC=CC=C3)CO

Isomeric SMILES

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)O)C(CC3=CC=CC=C3)CO

InChI

InChI=1S/C28H31NO4/c1-2-3-14-27(31)29(24(20-30)17-21-10-6-4-7-11-21)19-22-15-16-25(26(18-22)28(32)33)23-12-8-5-9-13-23/h4-13,15-16,18,24,30H,2-3,14,17,19-20H2,1H3,(H,32,33)