2-azanyl-3-[4-(4-azanyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)oxy-3,5-di(propan-2-yl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(4-azanyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)oxy-3,5-di(propan-2-yl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-amino-4-hydroxy-cyclohexa-2,5-dien-1-yl)oxy-3,5-diisopropyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-[(4-amino-4-hydroxy-1-cyclohexa-2,5-dienyl)oxy]-3,5-di(propan-2-yl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-amino-4-hydroxycyclohexa-2,5-dien-1-yl)oxy-3,5-di(propan-2-yl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-amino-4-hydroxy-cyclohexa-2,5-dien-1-yl)oxy-3,5-diisopropyl-phenyl]propionic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1OC2C=CC(C=C2)(N)O)C(C)C)CC(C(=O)O)N

Isomeric SMILES

CC(C)C1=CC(=CC(=C1OC2C=CC(C=C2)(N)O)C(C)C)CC(C(=O)O)N

InChI

InChI=1S/C21H30N2O4/c1-12(2)16-9-14(11-18(22)20(24)25)10-17(13(3)4)19(16)27-15-5-7-21(23,26)8-6-15/h5-10,12-13,15,18,26H,11,22-23H2,1-4H3,(H,24,25)