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

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoic acid; 2-ethyl-3-methyl-quinolin-4-amine Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoic acid; 2-ethyl-3-methyl-quinolin-4-amine CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; 2-ethyl-3-methyl-4-quinolinamine IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; 2-ethyl-3-methylquinolin-4-amine Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid; (2-ethyl-3-methyl-4-quinolyl)amine Formula: C29H40N2O3 MolecularWeight: 464.6395

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)N.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)N.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O

InChI

InChI=1S/C17H26O3.C12H14N2/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;1-3-10-8(2)12(13)9-6-4-5-7-11(9)14-10/h9-10,20H,7-8H2,1-6H3,(H,18,19);4-7H,3H2,1-2H3,(H2,13,14)