(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl) 3-[3-aminocarbonyl-4-[2-(4-chlorophenyl)ethyl]-2-phenoxy-phenyl]propanoate

Systemtic Name: (1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl) 3-[3-aminocarbonyl-4-[2-(4-chlorophenyl)ethyl]-2-phenoxy-phenyl]propanoate Openeye Name: [2-amino-1-(hydroxymethyl)-2-oxo-ethyl] 3-[3-carbamoyl-4-[2-(4-chlorophenyl)ethyl]-2-phenoxy-phenyl]propanoate CAS Name: 3-[3-carbamoyl-4-[2-(4-chlorophenyl)ethyl]-2-phenoxyphenyl]propanoic acid (1-amino-3-hydroxy-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-3-hydroxy-1-oxopropan-2-yl) 3-[3-carbamoyl-4-[2-(4-chlorophenyl)ethyl]-2-phenoxyphenyl]propanoate Traditional Name: 3-[3-carbamoyl-4-[2-(4-chlorophenyl)ethyl]-2-phenoxy-phenyl]propionic acid (2-amino-2-keto-1-methylol-ethyl) ester Formula: C27H27ClN2O6 MolecularWeight: 510.96608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=CC(=C2C(=O)N)CCC3=CC=C(C=C3)Cl)CCC(=O)OC(CO)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=CC(=C2C(=O)N)CCC3=CC=C(C=C3)Cl)CCC(=O)OC(CO)C(=O)N

InChI

InChI=1S/C27H27ClN2O6/c28-20-13-7-17(8-14-20)6-9-18-10-11-19(12-15-23(32)36-22(16-31)26(29)33)25(24(18)27(30)34)35-21-4-2-1-3-5-21/h1-5,7-8,10-11,13-14,22,31H,6,9,12,15-16H2,(H2,29,33)(H2,30,34)