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

Systemtic Name: 2-azanyl-3-[4-(4-oxidanylphenoxy)-3,5-di(propan-2-yl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diisopropyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-di(propan-2-yl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-di(propan-2-yl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diisopropyl-phenyl]propionic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1OC2=CC=C(C=C2)O)C(C)C)CC(C(=O)O)N

Isomeric SMILES

CC(C)C1=CC(=CC(=C1OC2=CC=C(C=C2)O)C(C)C)CC(C(=O)O)N

InChI

InChI=1S/C21H27NO4/c1-12(2)17-9-14(11-19(22)21(24)25)10-18(13(3)4)20(17)26-16-7-5-15(23)6-8-16/h5-10,12-13,19,23H,11,22H2,1-4H3,(H,24,25)