3-(3-cyanophenyl)-3-[2-[4-[(pyridin-2-ylamino)methyl]phenyl]pyrimidin-4-yl]propanoic acid

Systemtic Name: 3-(3-cyanophenyl)-3-[2-[4-[(pyridin-2-ylamino)methyl]phenyl]pyrimidin-4-yl]propanoic acid Openeye Name: 3-(3-cyanophenyl)-3-[2-[4-[(2-pyridylamino)methyl]phenyl]pyrimidin-4-yl]propanoic acid CAS Name: 3-(3-cyanophenyl)-3-[2-[4-[(2-pyridinylamino)methyl]phenyl]-4-pyrimidinyl]propanoic acid IUPAC Name: 3-(3-cyanophenyl)-3-[2-[4-[(pyridin-2-ylamino)methyl]phenyl]pyrimidin-4-yl]propanoic acid Traditional Name: 3-(3-cyanophenyl)-3-[2-[4-[(2-pyridylamino)methyl]phenyl]pyrimidin-4-yl]propionic acid Formula: C26H21N5O2 MolecularWeight: 435.47724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCC2=CC=C(C=C2)C3=NC=CC(=N3)C(CC(=O)O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=NC(=C1)NCC2=CC=C(C=C2)C3=NC=CC(=N3)C(CC(=O)O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H21N5O2/c27-16-19-4-3-5-21(14-19)22(15-25(32)33)23-11-13-29-26(31-23)20-9-7-18(8-10-20)17-30-24-6-1-2-12-28-24/h1-14,22H,15,17H2,(H,28,30)(H,32,33)