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

Systemtic Name: 2-[[6-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxidanylidene-1H-pyridin-3-yl]methylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[[6-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridin-3-yl]methylamino]-2-phenyl-acetic acid CAS Name: 2-[[6-[4-(4-ethyl-1-piperazinyl)phenyl]-2-oxo-1H-pyridin-3-yl]methylamino]-2-phenylacetic acid IUPAC Name: 2-[[6-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridin-3-yl]methylamino]-2-phenylacetic acid Traditional Name: 2-[[6-[4-(4-ethylpiperazino)phenyl]-2-keto-1H-pyridin-3-yl]methylamino]-2-phenyl-acetic acid Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C(=O)N3)CNC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C(=O)N3)CNC(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H30N4O3/c1-2-29-14-16-30(17-15-29)22-11-8-19(9-12-22)23-13-10-21(25(31)28-23)18-27-24(26(32)33)20-6-4-3-5-7-20/h3-13,24,27H,2,14-18H2,1H3,(H,28,31)(H,32,33)