2-azanyl-3-[2,3-dimethyl-4-(4-oxidanylphenoxy)-5-propan-2-yl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2,3-dimethyl-4-(4-oxidanylphenoxy)-5-propan-2-yl-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-5-isopropyl-2,3-dimethyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2,3-dimethyl-5-propan-2-ylphenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-2,3-dimethyl-5-propan-2-ylphenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-5-isopropyl-2,3-dimethyl-phenyl]propionic acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1CC(C(=O)O)N)C(C)C)OC2=CC=C(C=C2)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1CC(C(=O)O)N)C(C)C)OC2=CC=C(C=C2)O)C

InChI

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