4-[[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentanoyl]amino]benzoic acid Openeye Name: 4-[[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentanoyl]amino]benzoic acid CAS Name: 4-[[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-1-oxo-5-phenylpentyl]amino]benzoic acid IUPAC Name: 4-[[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentanoyl]amino]benzoic acid Traditional Name: 4-[[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentanoyl]amino]benzoic acid Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)O)OC

InChI

InChI=1S/C28H31NO6/c1-18-24(34-2)16-21(17-25(18)35-3)26(30)23(11-7-10-19-8-5-4-6-9-19)27(31)29-22-14-12-20(13-15-22)28(32)33/h4-6,8-9,12-17,23,26,30H,7,10-11H2,1-3H3,(H,29,31)(H,32,33)