4-(3-azanyl-3-methyl-butyl)-2-butoxycarbonyl-benzoic acid

Systemtic Name: 4-(3-azanyl-3-methyl-butyl)-2-butoxycarbonyl-benzoic acid Openeye Name: 4-(3-amino-3-methyl-butyl)-2-butoxycarbonyl-benzoic acid CAS Name: 4-(3-amino-3-methylbutyl)-2-[butoxy(oxo)methyl]benzoic acid IUPAC Name: 4-(3-amino-3-methylbutyl)-2-butoxycarbonylbenzoic acid Traditional Name: 4-(3-amino-3-methyl-butyl)-2-butoxycarbonyl-benzoic acid Formula: C17H25NO4 MolecularWeight: 307.3847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)CCC(C)(C)N)C(=O)O

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)CCC(C)(C)N)C(=O)O

InChI

InChI=1S/C17H25NO4/c1-4-5-10-22-16(21)14-11-12(8-9-17(2,3)18)6-7-13(14)15(19)20/h6-7,11H,4-5,8-10,18H2,1-3H3,(H,19,20)