(2E)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methylidene]-3-methyl-butanoic acid; 2-methylpropan-2-amine

Systemtic Name: (2E)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methylidene]-3-methyl-butanoic acid; 2-methylpropan-2-amine Openeye Name: (2E)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methylene]-3-methyl-butanoic acid; 2-methylpropan-2-amine CAS Name: (2E)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methylidene]-3-methylbutanoic acid; 2-methyl-2-propanamine IUPAC Name: (2E)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methylidene]-3-methylbutanoic acid; 2-methylpropan-2-amine Traditional Name: tert-butylamine; (E)-2-isopropyl-3-[4-methoxy-3-(3-methoxypropoxy)phenyl]acrylic acid Formula: C21H35NO5 MolecularWeight: 381.5063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=CC1=CC(=C(C=C1)OC)OCCCOC)C(=O)O.CC(C)(C)N

Isomeric SMILES

CC(C)/C(=C\C1=CC(=C(C=C1)OC)OCCCOC)/C(=O)O.CC(C)(C)N

InChI

InChI=1S/C17H24O5.C4H11N/c1-12(2)14(17(18)19)10-13-6-7-15(21-4)16(11-13)22-9-5-8-20-3;1-4(2,3)5/h6-7,10-12H,5,8-9H2,1-4H3,(H,18,19);5H2,1-3H3/b14-10+;