methyl 2-(3-hydroxyphenyl)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]benzoate

Systemtic Name: methyl 2-(3-hydroxyphenyl)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]benzoate Openeye Name: methyl 4-[2-(tert-butoxycarbonylamino)hexanoylamino]-2-(3-hydroxyphenyl)benzoate CAS Name: 2-(3-hydroxyphenyl)-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(3-hydroxyphenyl)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]benzoate Traditional Name: 4-[2-(tert-butoxycarbonylamino)hexanoylamino]-2-(3-hydroxyphenyl)benzoic acid methyl ester Formula: C25H32N2O6 MolecularWeight: 456.53138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC(=C(C=C1)C(=O)OC)C2=CC(=CC=C2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(C(=O)NC1=CC(=C(C=C1)C(=O)OC)C2=CC(=CC=C2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H32N2O6/c1-6-7-11-21(27-24(31)33-25(2,3)4)22(29)26-17-12-13-19(23(30)32-5)20(15-17)16-9-8-10-18(28)14-16/h8-10,12-15,21,28H,6-7,11H2,1-5H3,(H,26,29)(H,27,31)