4-[(3,5-dimethoxyphenyl)methyl]-2-methyl-6-phenyl-3-(3-phenylpropanoylamino)benzoic acid

Systemtic Name: 4-[(3,5-dimethoxyphenyl)methyl]-2-methyl-6-phenyl-3-(3-phenylpropanoylamino)benzoic acid Openeye Name: 4-[(3,5-dimethoxyphenyl)methyl]-2-methyl-6-phenyl-3-(3-phenylpropanoylamino)benzoic acid CAS Name: 4-[(3,5-dimethoxyphenyl)methyl]-2-methyl-3-[(1-oxo-3-phenylpropyl)amino]-6-phenylbenzoic acid IUPAC Name: 4-[(3,5-dimethoxyphenyl)methyl]-2-methyl-6-phenyl-3-(3-phenylpropanoylamino)benzoic acid Traditional Name: 4-(3,5-dimethoxybenzyl)-3-(hydrocinnamoylamino)-2-methyl-6-phenyl-benzoic acid Formula: C32H31NO5 MolecularWeight: 509.59224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1NC(=O)CCC2=CC=CC=C2)CC3=CC(=CC(=C3)OC)OC)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=CC(=C1NC(=O)CCC2=CC=CC=C2)CC3=CC(=CC(=C3)OC)OC)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C32H31NO5/c1-21-30(32(35)36)28(24-12-8-5-9-13-24)19-25(16-23-17-26(37-2)20-27(18-23)38-3)31(21)33-29(34)15-14-22-10-6-4-7-11-22/h4-13,17-20H,14-16H2,1-3H3,(H,33,34)(H,35,36)