2-methyl-3-phenyl-4-[2-[4-(phenylmethoxymethyl)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-methyl-3-phenyl-4-[2-[4-(phenylmethoxymethyl)phenyl]propanoylamino]benzoic acid Openeye Name: 4-[2-[4-(benzyloxymethyl)phenyl]propanoylamino]-2-methyl-3-phenyl-benzoic acid CAS Name: 2-methyl-4-[[1-oxo-2-[4-(phenylmethoxymethyl)phenyl]propyl]amino]-3-phenylbenzoic acid IUPAC Name: 2-methyl-3-phenyl-4-[2-[4-(phenylmethoxymethyl)phenyl]propanoylamino]benzoic acid Traditional Name: 4-[2-[4-(benzoxymethyl)phenyl]propanoylamino]-2-methyl-3-phenyl-benzoic acid Formula: C31H29NO4 MolecularWeight: 479.56626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=CC=CC=C2)NC(=O)C(C)C3=CC=C(C=C3)COCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C2=CC=CC=C2)NC(=O)C(C)C3=CC=C(C=C3)COCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H29NO4/c1-21(25-15-13-24(14-16-25)20-36-19-23-9-5-3-6-10-23)30(33)32-28-18-17-27(31(34)35)22(2)29(28)26-11-7-4-8-12-26/h3-18,21H,19-20H2,1-2H3,(H,32,33)(H,34,35)