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

Systemtic Name: 2-azanyl-3-[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-cyclohexyl)oxy-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxy-3-isopropyl-cyclohexoxy)-3,5-dimethyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxy-3-propan-2-ylcyclohexyl)oxy-3,5-dimethylphenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxy-3-propan-2-ylcyclohexyl)oxy-3,5-dimethylphenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxy-3-isopropyl-cyclohexoxy)-3,5-dimethyl-phenyl]propionic acid Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2CCC(C(C2)C(C)C)O)C)CC(C(=O)O)N

Isomeric SMILES

CC1=CC(=CC(=C1OC2CCC(C(C2)C(C)C)O)C)CC(C(=O)O)N

InChI

InChI=1S/C20H31NO4/c1-11(2)16-10-15(5-6-18(16)22)25-19-12(3)7-14(8-13(19)4)9-17(21)20(23)24/h7-8,11,15-18,22H,5-6,9-10,21H2,1-4H3,(H,23,24)