(phenylmethyl) 4-[(2-azanylquinolin-6-yl)carbonylamino]-5-(5-cyano-2-prop-2-enoyloxy-phenoxy)pentanoate

Systemtic Name: (phenylmethyl) 4-[(2-azanylquinolin-6-yl)carbonylamino]-5-(5-cyano-2-prop-2-enoyloxy-phenoxy)pentanoate Openeye Name: benzyl 4-[(2-aminoquinoline-6-carbonyl)amino]-5-(5-cyano-2-prop-2-enoyloxy-phenoxy)pentanoate CAS Name: 4-[[(2-amino-6-quinolinyl)-oxomethyl]amino]-5-[5-cyano-2-(1-oxoprop-2-enoxy)phenoxy]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2-aminoquinoline-6-carbonyl)amino]-5-(5-cyano-2-prop-2-enoyloxyphenoxy)pentanoate Traditional Name: 5-(2-acryloyloxy-5-cyano-phenoxy)-4-[(2-aminoquinoline-6-carbonyl)amino]valeric acid benzyl ester Formula: C32H28N4O6 MolecularWeight: 564.58792

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OC1=C(C=C(C=C1)C#N)OCC(CCC(=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)OCC(CCC(=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)42-27-13-8-22(18-33)16-28(27)40-20-25(11-15-31(38)41-19-21-6-4-3-5-7-21)35-32(39)24-9-12-26-23(17-24)10-14-29(34)36-26/h2-10,12-14,16-17,25H,1,11,15,19-20H2,(H2,34,36)(H,35,39)