2-azanyl-3-[2-methyl-4-(2-methyl-4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-methyl-4-(2-methyl-4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxy-3-isopropyl-2-methyl-phenoxy)-2-methyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxy-2-methyl-3-propan-2-ylphenoxy)-2-methylphenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxy-2-methyl-3-propan-2-ylphenoxy)-2-methylphenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxy-3-isopropyl-2-methyl-phenoxy)-2-methyl-phenyl]propionic acid Formula: C20H25NO4 MolecularWeight: 343.4168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C(=C(C=C2)O)C(C)C)C)CC(C(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C(=C(C=C2)O)C(C)C)C)CC(C(=O)O)N

InChI

InChI=1S/C20H25NO4/c1-11(2)19-13(4)18(8-7-17(19)22)25-15-6-5-14(12(3)9-15)10-16(21)20(23)24/h5-9,11,16,22H,10,21H2,1-4H3,(H,23,24)