(2S)-2-[[6-(4-phenethyloxyphenyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[6-(4-phenethyloxyphenyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[6-(4-phenethyloxyphenyl)pyrimidin-4-yl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[6-(4-phenethyloxyphenyl)-4-pyrimidinyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[6-(4-phenethyloxyphenyl)pyrimidin-4-yl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[6-(4-phenethyloxyphenyl)pyrimidin-4-yl]amino]-3-phenyl-propionic acid Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C3=CC(=NC=N3)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=C(C=C2)C3=CC(=NC=N3)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H25N3O3/c31-27(32)25(17-21-9-5-2-6-10-21)30-26-18-24(28-19-29-26)22-11-13-23(14-12-22)33-16-15-20-7-3-1-4-8-20/h1-14,18-19,25H,15-17H2,(H,31,32)(H,28,29,30)/t25-/m0/s1