(phenylmethyl) 2-[(2-azanylquinolin-6-yl)carbonylamino]-5-(5-cyano-2-prop-2-enoyloxy-phenoxy)pentanoate

Systemtic Name: (phenylmethyl) 2-[(2-azanylquinolin-6-yl)carbonylamino]-5-(5-cyano-2-prop-2-enoyloxy-phenoxy)pentanoate Openeye Name: benzyl 2-[(2-aminoquinoline-6-carbonyl)amino]-5-(5-cyano-2-prop-2-enoyloxy-phenoxy)pentanoate CAS Name: 2-[[(2-amino-6-quinolinyl)-oxomethyl]amino]-5-[5-cyano-2-(1-oxoprop-2-enoxy)phenoxy]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-aminoquinoline-6-carbonyl)amino]-5-(5-cyano-2-prop-2-enoyloxyphenoxy)pentanoate Traditional Name: 5-(2-acryloyloxy-5-cyano-phenoxy)-2-[(2-aminoquinoline-6-carbonyl)amino]valeric acid benzyl ester Formula: C32H28N4O6 MolecularWeight: 564.58792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OC1=C(C=C(C=C1)C#N)OCCCC(C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=C(C=C4)N

Isomeric SMILES

C=CC(=O)OC1=C(C=C(C=C1)C#N)OCCCC(C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=C(C=C4)N

InChI

InChI=1S/C32H28N4O6/c1-2-30(37)42-27-14-10-22(19-33)17-28(27)40-16-6-9-26(32(39)41-20-21-7-4-3-5-8-21)36-31(38)24-11-13-25-23(18-24)12-15-29(34)35-25/h2-5,7-8,10-15,17-18,26H,1,6,9,16,20H2,(H2,34,35)(H,36,38)