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

Systemtic Name: 2-methyl-3-phenyl-5-[4-(4-phenylbutoxy)phenyl]-4-(propanoylamino)benzoic acid Openeye Name: 2-methyl-3-phenyl-5-[4-(4-phenylbutoxy)phenyl]-4-(propanoylamino)benzoic acid CAS Name: 2-methyl-4-(1-oxopropylamino)-3-phenyl-5-[4-(4-phenylbutoxy)phenyl]benzoic acid IUPAC Name: 2-methyl-3-phenyl-5-[4-(4-phenylbutoxy)phenyl]-4-(propanoylamino)benzoic acid Traditional Name: 2-methyl-3-phenyl-5-[4-(4-phenylbutoxy)phenyl]-4-propionamido-benzoic acid Formula: C33H33NO4 MolecularWeight: 507.61942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(C=C1C2=CC=C(C=C2)OCCCCC3=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)OCCCCC3=CC=CC=C3)C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C33H33NO4/c1-3-30(35)34-32-29(22-28(33(36)37)23(2)31(32)26-15-8-5-9-16-26)25-17-19-27(20-18-25)38-21-11-10-14-24-12-6-4-7-13-24/h4-9,12-13,15-20,22H,3,10-11,14,21H2,1-2H3,(H,34,35)(H,36,37)