3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(2-methylphenyl)-2-(propan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(2-methylphenyl)-2-(propan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-(isopropylamino)-5-(o-tolyl)pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[[5-(2-methylphenyl)-2-(propan-2-ylamino)-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[5-(2-methylphenyl)-2-(propan-2-ylamino)pyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[2-(isopropylamino)-5-(o-tolyl)pyrimidin-4-yl]amino]propionic acid Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=C(N=C2NC(CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)O)NC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=CN=C(N=C2NC(CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)O)NC(C)C

InChI

InChI=1S/C26H31N5O4/c1-16(2)28-25-27-15-21(20-9-7-6-8-17(20)3)23(30-25)29-22(24(32)33)14-18-10-12-19(13-11-18)35-26(34)31(4)5/h6-13,15-16,22H,14H2,1-5H3,(H,32,33)(H2,27,28,29,30)