3-acetamido-4-[(4-chlorophenyl)methylamino]-2-[1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 3-acetamido-4-[(4-chlorophenyl)methylamino]-2-[1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-4-[(4-chlorophenyl)methylamino]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-4-[(4-chlorophenyl)methylamino]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-4-[(4-chlorophenyl)methylamino]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-4-[(4-chlorobenzyl)amino]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C18H23ClN2O7 MolecularWeight: 414.83742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H23ClN2O7/c1-9(23)21-15-12(20-7-10-2-4-11(19)5-3-10)6-14(18(26)27)28-17(15)16(25)13(24)8-22/h2-6,12-13,15-17,20,22,24-25H,7-8H2,1H3,(H,21,23)(H,26,27)