[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)CCC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)CCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H26N2O4/c1-14(20(24)21-15-8-4-2-3-5-9-15)25-19(23)13-12-18-22-16-10-6-7-11-17(16)26-18/h6-7,10-11,14-15H,2-5,8-9,12-13H2,1H3,(H,21,24)/t14-/m1/s1