2-methylpropan-2-amine; (E)-3-[4-(3-oxidanylpropoxy)phenoxy]-4-phenyl-but-3-en-2-one

Systemtic Name: 2-methylpropan-2-amine; (E)-3-[4-(3-oxidanylpropoxy)phenoxy]-4-phenyl-but-3-en-2-one Openeye Name: (E)-3-[4-(3-hydroxypropoxy)phenoxy]-4-phenyl-but-3-en-2-one; 2-methylpropan-2-amine CAS Name: (E)-3-[4-(3-hydroxypropoxy)phenoxy]-4-phenyl-3-buten-2-one; 2-methyl-2-propanamine IUPAC Name: (E)-3-[4-(3-hydroxypropoxy)phenoxy]-4-phenylbut-3-en-2-one; 2-methylpropan-2-amine Traditional Name: tert-butylamine; (E)-3-[4-(3-hydroxypropoxy)phenoxy]-4-phenyl-but-3-en-2-one Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1)OC2=CC=C(C=C2)OCCCO.CC(C)(C)N

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1)/OC2=CC=C(C=C2)OCCCO.CC(C)(C)N

InChI

InChI=1S/C19H20O4.C4H11N/c1-15(21)19(14-16-6-3-2-4-7-16)23-18-10-8-17(9-11-18)22-13-5-12-20;1-4(2,3)5/h2-4,6-11,14,20H,5,12-13H2,1H3;5H2,1-3H3/b19-14+;