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

Systemtic Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[(2-cycloheptylcarbonylphenyl)amino]-3-ethoxy-3-phenyl-propanoic acid Openeye Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[2-(cycloheptanecarbonyl)anilino]-3-ethoxy-3-phenyl-propanoic acid CAS Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[2-[cycloheptyl(oxo)methyl]anilino]-3-ethoxy-3-phenylpropanoic acid IUPAC Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[2-(cycloheptanecarbonyl)anilino]-3-ethoxy-3-phenylpropanoic acid Traditional Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[2-(cycloheptanecarbonyl)anilino]-3-ethoxy-3-phenyl-propionic acid Formula: C33H37N3O5 MolecularWeight: 555.66398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C(C(=O)O)(NC2=CC=CC=C2C(=O)C3CCCCCC3)N(C)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC(C1=CC=CC=C1)C(C(=O)O)(NC2=CC=CC=C2C(=O)C3CCCCCC3)N(C)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C33H37N3O5/c1-3-40-30(24-17-9-6-10-18-24)33(31(38)39,36(2)32-34-27-21-13-14-22-28(27)41-32)35-26-20-12-11-19-25(26)29(37)23-15-7-4-5-8-16-23/h6,9-14,17-23,30,35H,3-5,7-8,15-16H2,1-2H3,(H,38,39)