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

Systemtic Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[(2-cyclohexylcarbonylphenyl)amino]-3-ethoxy-3-phenyl-propanoic acid Openeye Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[2-(cyclohexanecarbonyl)anilino]-3-ethoxy-3-phenyl-propanoic acid CAS Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[2-[cyclohexyl(oxo)methyl]anilino]-3-ethoxy-3-phenylpropanoic acid IUPAC Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[2-(cyclohexanecarbonyl)anilino]-3-ethoxy-3-phenylpropanoic acid Traditional Name: 2-[1,3-benzoxazol-2-yl(methyl)amino]-2-[2-(cyclohexanecarbonyl)anilino]-3-ethoxy-3-phenyl-propionic acid Formula: C32H35N3O5 MolecularWeight: 541.6374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C(C(=O)O)(NC2=CC=CC=C2C(=O)C3CCCCC3)N(C)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC(C1=CC=CC=C1)C(C(=O)O)(NC2=CC=CC=C2C(=O)C3CCCCC3)N(C)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C32H35N3O5/c1-3-39-29(23-16-8-5-9-17-23)32(30(37)38,35(2)31-33-26-20-12-13-21-27(26)40-31)34-25-19-11-10-18-24(25)28(36)22-14-6-4-7-15-22/h5,8-13,16-22,29,34H,3-4,6-7,14-15H2,1-2H3,(H,37,38)