N-ethylethanamine; (E)-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-oxidanyl-phenyl]prop-2-enoic acid

Systemtic Name: N-ethylethanamine; (E)-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-oxidanyl-phenyl]prop-2-enoic acid Openeye Name: N-ethylethanamine; (E)-3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid CAS Name: N-ethylethanamine; (E)-3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-2-propenoic acid IUPAC Name: N-ethylethanamine; (E)-3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid Traditional Name: diethylamine; (E)-3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]acrylic acid Formula: C19H29NO4 MolecularWeight: 335.43786

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC(=CCC1=C(C=CC(=C1O)C=CC(=O)O)OC)C

Isomeric SMILES

CCNCC.CC(=CCC1=C(C=CC(=C1O)/C=C/C(=O)O)OC)C

InChI

InChI=1S/C15H18O4.C4H11N/c1-10(2)4-7-12-13(19-3)8-5-11(15(12)18)6-9-14(16)17;1-3-5-4-2/h4-6,8-9,18H,7H2,1-3H3,(H,16,17);5H,3-4H2,1-2H3/b9-6+;