(phenylmethyl) 4-[[6-methoxy-3,6-bis(oxidanylidene)hexanoyl]-oxidanyl-amino]benzoate

Systemtic Name: (phenylmethyl) 4-[[6-methoxy-3,6-bis(oxidanylidene)hexanoyl]-oxidanyl-amino]benzoate Openeye Name: benzyl 4-[hydroxy-(6-methoxy-3,6-dioxo-hexanoyl)amino]benzoate CAS Name: 4-[hydroxy-(6-methoxy-1,3,6-trioxohexyl)amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[hydroxy-(6-methoxy-3,6-dioxohexanoyl)amino]benzoate Traditional Name: 4-[(3,6-diketo-6-methoxy-hexanoyl)-hydroxy-amino]benzoic acid benzyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)CC(=O)N(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCC(=O)CC(=O)N(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C21H21NO7/c1-28-20(25)12-11-18(23)13-19(24)22(27)17-9-7-16(8-10-17)21(26)29-14-15-5-3-2-4-6-15/h2-10,27H,11-14H2,1H3