3-methyl-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid Openeye Name: 3-methyl-2-[(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid CAS Name: 3-methyl-2-[(2-phenyl-4-benzofuro[3,2-d]pyrimidinyl)amino]butanoic acid IUPAC Name: 3-methyl-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid Traditional Name: 3-methyl-2-[(2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino]butyric acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)O)NC1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3/c1-12(2)16(21(25)26)22-20-18-17(14-10-6-7-11-15(14)27-18)23-19(24-20)13-8-4-3-5-9-13/h3-12,16H,1-2H3,(H,25,26)(H,22,23,24)