3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanamide; heptane-1,7-diamine

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanamide; heptane-1,7-diamine Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanamide; heptane-1,7-diamine CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide; heptane-1,7-diamine IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide; heptane-1,7-diamine Traditional Name: 7-aminoheptylamine; 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionamide Formula: C41H72N4O4 MolecularWeight: 685.03478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N.C(CCCN)CCCN

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N.C(CCCN)CCCN

InChI

InChI=1S/2C17H27NO2.C7H18N2/c2*1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;8-6-4-2-1-3-5-7-9/h2*9-10,20H,7-8H2,1-6H3,(H2,18,19);1-9H2