2-[[6-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-oxidanylidene-1H-pyridin-3-yl]methylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[6-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-oxidanylidene-1H-pyridin-3-yl]methylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[[6-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridin-3-yl]methylamino]-2-phenyl-acetic acid CAS Name: 2-[[6-[4-(4-cyclohexyl-1-piperazinyl)phenyl]-2-oxo-1H-pyridin-3-yl]methylamino]-2-phenylacetic acid IUPAC Name: 2-[[6-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridin-3-yl]methylamino]-2-phenylacetic acid Traditional Name: 2-[[6-[4-(4-cyclohexylpiperazino)phenyl]-2-keto-1H-pyridin-3-yl]methylamino]-2-phenyl-acetic acid Formula: C30H36N4O3 MolecularWeight: 500.63184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C(=O)N4)CNC(C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C(=O)N4)CNC(C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H36N4O3/c35-29-24(21-31-28(30(36)37)23-7-3-1-4-8-23)13-16-27(32-29)22-11-14-26(15-12-22)34-19-17-33(18-20-34)25-9-5-2-6-10-25/h1,3-4,7-8,11-16,25,28,31H,2,5-6,9-10,17-21H2,(H,32,35)(H,36,37)