ethyl 2-[1-[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]butan-2-ylamino]quinoline-3-carboxylate

Systemtic Name: ethyl 2-[1-[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]butan-2-ylamino]quinoline-3-carboxylate Openeye Name: ethyl 2-[1-[[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]propylamino]quinoline-3-carboxylate CAS Name: 2-[1-[4-[2-[(E)-amino(hydroxyimino)methyl]phenyl]phenyl]butan-2-ylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]butan-2-ylamino]quinoline-3-carboxylate Traditional Name: 2-[1-[4-[2-[(E)-aminocarbohydroximoyl]phenyl]benzyl]propylamino]quinoline-3-carboxylic acid ethyl ester Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C(=NO)N)NC3=NC4=CC=CC=C4C=C3C(=O)OCC

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2/C(=N\O)/N)NC3=NC4=CC=CC=C4C=C3C(=O)OCC

InChI

InChI=1S/C29H30N4O3/c1-3-22(31-28-25(29(34)36-4-2)18-21-9-5-8-12-26(21)32-28)17-19-13-15-20(16-14-19)23-10-6-7-11-24(23)27(30)33-35/h5-16,18,22,35H,3-4,17H2,1-2H3,(H2,30,33)(H,31,32)