methyl 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[(2-cycloheptylcarbonylphenyl)amino]propanoate

Systemtic Name: methyl 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[(2-cycloheptylcarbonylphenyl)amino]propanoate Openeye Name: methyl 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-(cycloheptanecarbonyl)anilino]propanoate CAS Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-[cycloheptyl(oxo)methyl]anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-(cycloheptanecarbonyl)anilino]propanoate Traditional Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-(cycloheptanecarbonyl)anilino]propionic acid methyl ester Formula: C34H39N3O5 MolecularWeight: 569.69056

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)CC(C(=O)OC)NC2=CC=CC=C2C(=O)C3CCCCCC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)CC(C(=O)OC)NC2=CC=CC=C2C(=O)C3CCCCCC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C34H39N3O5/c1-37(34-36-29-15-9-10-16-31(29)42-34)21-22-41-26-19-17-24(18-20-26)23-30(33(39)40-2)35-28-14-8-7-13-27(28)32(38)25-11-5-3-4-6-12-25/h7-10,13-20,25,30,35H,3-6,11-12,21-23H2,1-2H3