2-methyl-5-[4-(2-phenoxyethyl)phenyl]-3-phenyl-4-(propanoylamino)benzoic acid

Systemtic Name: 2-methyl-5-[4-(2-phenoxyethyl)phenyl]-3-phenyl-4-(propanoylamino)benzoic acid Openeye Name: 2-methyl-5-[4-(2-phenoxyethyl)phenyl]-3-phenyl-4-(propanoylamino)benzoic acid CAS Name: 2-methyl-4-(1-oxopropylamino)-5-[4-(2-phenoxyethyl)phenyl]-3-phenylbenzoic acid IUPAC Name: 2-methyl-5-[4-(2-phenoxyethyl)phenyl]-3-phenyl-4-(propanoylamino)benzoic acid Traditional Name: 2-methyl-5-[4-(2-phenoxyethyl)phenyl]-3-phenyl-4-propionamido-benzoic acid Formula: C31H29NO4 MolecularWeight: 479.56626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(C=C1C2=CC=C(C=C2)CCOC3=CC=CC=C3)C(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=C(C(=C(C=C1C2=CC=C(C=C2)CCOC3=CC=CC=C3)C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C31H29NO4/c1-3-28(33)32-30-27(20-26(31(34)35)21(2)29(30)24-10-6-4-7-11-24)23-16-14-22(15-17-23)18-19-36-25-12-8-5-9-13-25/h4-17,20H,3,18-19H2,1-2H3,(H,32,33)(H,34,35)