2-[4-[3-(tert-butylamino)-2-oxidanyl-butoxy]-3-prop-2-enyl-phenyl]ethanamide; ethanedioic acid

Systemtic Name: 2-[4-[3-(tert-butylamino)-2-oxidanyl-butoxy]-3-prop-2-enyl-phenyl]ethanamide; ethanedioic acid Openeye Name: 2-[3-allyl-4-[3-(tert-butylamino)-2-hydroxy-butoxy]phenyl]acetamide; oxalic acid CAS Name: 2-[4-[3-(tert-butylamino)-2-hydroxybutoxy]-3-prop-2-enylphenyl]acetamide; oxalic acid IUPAC Name: 2-[4-[3-(tert-butylamino)-2-hydroxybutoxy]-3-prop-2-enylphenyl]acetamide; oxalic acid Traditional Name: 2-[3-allyl-4-[3-(tert-butylamino)-2-hydroxy-butoxy]phenyl]acetamide; oxalic acid Formula: C21H32N2O7 MolecularWeight: 424.48798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(COC1=C(C=C(C=C1)CC(=O)N)CC=C)O)NC(C)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(COC1=C(C=C(C=C1)CC(=O)N)CC=C)O)NC(C)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H30N2O3.C2H2O4/c1-6-7-15-10-14(11-18(20)23)8-9-17(15)24-12-16(22)13(2)21-19(3,4)5;3-1(4)2(5)6/h6,8-10,13,16,21-22H,1,7,11-12H2,2-5H3,(H2,20,23);(H,3,4)(H,5,6)