2-cyclohexa-1,4-dien-1-yl-2-[[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1H-pyridin-3-yl]methylamino]ethanoic acid

Systemtic Name: 2-cyclohexa-1,4-dien-1-yl-2-[[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1H-pyridin-3-yl]methylamino]ethanoic acid Openeye Name: 2-cyclohexa-1,4-dien-1-yl-2-[[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridin-3-yl]methylamino]acetic acid CAS Name: 2-(1-cyclohexa-1,4-dienyl)-2-[[6-[4-(4-methyl-1-piperazinyl)phenyl]-2-oxo-1H-pyridin-3-yl]methylamino]acetic acid IUPAC Name: 2-cyclohexa-1,4-dien-1-yl-2-[[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridin-3-yl]methylamino]acetic acid Traditional Name: 2-cyclohexa-1,4-dien-1-yl-2-[[2-keto-6-[4-(4-methylpiperazino)phenyl]-1H-pyridin-3-yl]methylamino]acetic acid Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C(=O)N3)CNC(C4=CCC=CC4)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C(=O)N3)CNC(C4=CCC=CC4)C(=O)O

InChI

InChI=1S/C25H30N4O3/c1-28-13-15-29(16-14-28)21-10-7-18(8-11-21)22-12-9-20(24(30)27-22)17-26-23(25(31)32)19-5-3-2-4-6-19/h2-3,6-12,23,26H,4-5,13-17H2,1H3,(H,27,30)(H,31,32)