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

Systemtic Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[(2-cyclopentylcarbonylphenyl)amino]-3-ethoxy-3-phenyl-propanoic acid Openeye Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[2-(cyclopentanecarbonyl)anilino]-3-ethoxy-3-phenyl-propanoic acid CAS Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[2-[cyclopentyl(oxo)methyl]anilino]-3-ethoxy-3-phenylpropanoic acid IUPAC Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[2-(cyclopentanecarbonyl)anilino]-3-ethoxy-3-phenylpropanoic acid Traditional Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[2-(cyclopentanecarbonyl)anilino]-3-ethoxy-3-phenyl-propionic acid Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C(C(=O)O)(NC2=CC=CC=C2C(=O)C3CCCC3)N(C)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC(C1=CC=CC=C1)C(C(=O)O)(NC2=CC=CC=C2C(=O)C3CCCC3)N(C)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C31H33N3O5/c1-3-38-28(22-15-5-4-6-16-22)31(29(36)37,34(2)30-32-25-19-11-12-20-26(25)39-30)33-24-18-10-9-17-23(24)27(35)21-13-7-8-14-21/h4-6,9-12,15-21,28,33H,3,7-8,13-14H2,1-2H3,(H,36,37)