2-methyl-4-[(phenethylamino)-propanoyl-amino]-3,5-diphenyl-benzoic acid

Systemtic Name: 2-methyl-4-[(phenethylamino)-propanoyl-amino]-3,5-diphenyl-benzoic acid Openeye Name: 2-methyl-4-[(phenethylamino)-propanoyl-amino]-3,5-diphenyl-benzoic acid CAS Name: 2-methyl-4-[1-oxopropyl-(phenethylamino)amino]-3,5-diphenylbenzoic acid IUPAC Name: 2-methyl-4-[(phenethylamino)-propanoylamino]-3,5-diphenylbenzoic acid Traditional Name: 2-methyl-4-[(phenethylamino)-propionyl-amino]-3,5-diphenyl-benzoic acid Formula: C31H30N2O3 MolecularWeight: 478.5815

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=C(C(=C(C=C1C2=CC=CC=C2)C(=O)O)C)C3=CC=CC=C3)NCCC4=CC=CC=C4

Isomeric SMILES

CCC(=O)N(C1=C(C(=C(C=C1C2=CC=CC=C2)C(=O)O)C)C3=CC=CC=C3)NCCC4=CC=CC=C4

InChI

InChI=1S/C31H30N2O3/c1-3-28(34)33(32-20-19-23-13-7-4-8-14-23)30-27(24-15-9-5-10-16-24)21-26(31(35)36)22(2)29(30)25-17-11-6-12-18-25/h4-18,21,32H,3,19-20H2,1-2H3,(H,35,36)