3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[[2-(2-methylphenyl)carbonylphenyl]amino]propanoic acid

Systemtic Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[[2-(2-methylphenyl)carbonylphenyl]amino]propanoic acid Openeye Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-(2-methylbenzoyl)anilino]propanoic acid CAS Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-[(2-methylphenyl)-oxomethyl]anilino]propanoic acid IUPAC Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-(2-methylbenzoyl)anilino]propanoic acid Traditional Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-(2-o-toluoylanilino)propionic acid Formula: C33H31N3O5 MolecularWeight: 549.61634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CC=CC=C2NC(CC3=CC=C(C=C3)OCCN(C)C4=NC5=CC=CC=C5O4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CC=CC=C2NC(CC3=CC=C(C=C3)OCCN(C)C4=NC5=CC=CC=C5O4)C(=O)O

InChI

InChI=1S/C33H31N3O5/c1-22-9-3-4-10-25(22)31(37)26-11-5-6-12-27(26)34-29(32(38)39)21-23-15-17-24(18-16-23)40-20-19-36(2)33-35-28-13-7-8-14-30(28)41-33/h3-18,29,34H,19-21H2,1-2H3,(H,38,39)