2-[4-[[(1-oxidanyl-3-phenyl-propan-2-yl)-pentanoyl-amino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[(1-oxidanyl-3-phenyl-propan-2-yl)-pentanoyl-amino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[(1-benzyl-2-hydroxy-ethyl)-pentanoyl-amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[(1-hydroxy-3-phenylpropan-2-yl)-(1-oxopentyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[(1-hydroxy-3-phenylpropan-2-yl)-pentanoylamino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[(1-benzyl-2-hydroxy-ethyl)-valeryl-amino]methyl]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=C2C(=O)O)C(CC3=CC=CC=C3)CO

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O)C(CC3=CC=CC=C3)CO

InChI

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