2-[[4-(phenoxymethyl)-2-(2-phenylpropanoylamino)phenyl]methyl]benzoic acid

Systemtic Name: 2-[[4-(phenoxymethyl)-2-(2-phenylpropanoylamino)phenyl]methyl]benzoic acid Openeye Name: 2-[[4-(phenoxymethyl)-2-(2-phenylpropanoylamino)phenyl]methyl]benzoic acid CAS Name: 2-[[2-[(1-oxo-2-phenylpropyl)amino]-4-(phenoxymethyl)phenyl]methyl]benzoic acid IUPAC Name: 2-[[4-(phenoxymethyl)-2-(2-phenylpropanoylamino)phenyl]methyl]benzoic acid Traditional Name: 2-[2-(hydratropoylamino)-4-(phenoxymethyl)benzyl]benzoic acid Formula: C30H27NO4 MolecularWeight: 465.53968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)COC3=CC=CC=C3)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)COC3=CC=CC=C3)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C30H27NO4/c1-21(23-10-4-2-5-11-23)29(32)31-28-18-22(20-35-26-13-6-3-7-14-26)16-17-25(28)19-24-12-8-9-15-27(24)30(33)34/h2-18,21H,19-20H2,1H3,(H,31,32)(H,33,34)