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

Systemtic Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-3-ethoxy-2-[[4-methyl-2-(phenylcarbonyl)phenyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-(2-benzoyl-4-methyl-anilino)-3-ethoxy-3-phenyl-propanoic acid CAS Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-(2-benzoyl-4-methylanilino)-3-ethoxy-3-phenylpropanoic acid IUPAC Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-(2-benzoyl-4-methylanilino)-3-ethoxy-3-phenylpropanoic acid Traditional Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-(2-benzoyl-4-methyl-anilino)-3-ethoxy-3-phenyl-propionic acid Formula: C33H31N3O5 MolecularWeight: 549.61634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C(C(=O)O)(NC2=C(C=C(C=C2)C)C(=O)C3=CC=CC=C3)N(C)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC(C1=CC=CC=C1)C(C(=O)O)(NC2=C(C=C(C=C2)C)C(=O)C3=CC=CC=C3)N(C)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C33H31N3O5/c1-4-40-30(24-15-9-6-10-16-24)33(31(38)39,36(3)32-34-27-17-11-12-18-28(27)41-32)35-26-20-19-22(2)21-25(26)29(37)23-13-7-5-8-14-23/h5-21,30,35H,4H2,1-3H3,(H,38,39)