3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoic acid; 3-ethyl-2-propyl-quinolin-4-amine

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoic acid; 3-ethyl-2-propyl-quinolin-4-amine Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoic acid; 3-ethyl-2-propyl-quinolin-4-amine CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; 3-ethyl-2-propyl-4-quinolinamine IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; 3-ethyl-2-propylquinolin-4-amine Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid; (3-ethyl-2-propyl-4-quinolyl)amine Formula: C31H44N2O3 MolecularWeight: 492.69266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)N.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)N.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O

InChI

InChI=1S/C17H26O3.C14H18N2/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;1-3-7-12-10(4-2)14(15)11-8-5-6-9-13(11)16-12/h9-10,20H,7-8H2,1-6H3,(H,18,19);5-6,8-9H,3-4,7H2,1-2H3,(H2,15,16)