methyl 4-[[4-[(prop-2-enoxycarbonylamino)methyl]phenyl]amino]quinoline-8-carboxylate

Systemtic Name: methyl 4-[[4-[(prop-2-enoxycarbonylamino)methyl]phenyl]amino]quinoline-8-carboxylate Openeye Name: methyl 4-[4-[(allyloxycarbonylamino)methyl]anilino]quinoline-8-carboxylate CAS Name: 4-[4-[[[oxo(prop-2-enoxy)methyl]amino]methyl]anilino]-8-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(prop-2-enoxycarbonylamino)methyl]anilino]quinoline-8-carboxylate Traditional Name: 4-[4-[(allyloxycarbonylamino)methyl]anilino]quinoline-8-carboxylic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC2=C(C=CN=C21)NC3=CC=C(C=C3)CNC(=O)OCC=C

Isomeric SMILES

COC(=O)C1=CC=CC2=C(C=CN=C21)NC3=CC=C(C=C3)CNC(=O)OCC=C

InChI

InChI=1S/C22H21N3O4/c1-3-13-29-22(27)24-14-15-7-9-16(10-8-15)25-19-11-12-23-20-17(19)5-4-6-18(20)21(26)28-2/h3-12H,1,13-14H2,2H3,(H,23,25)(H,24,27)