1-ethyl-4-methyl-piperazine; 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid

Systemtic Name: 1-ethyl-4-methyl-piperazine; 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid Openeye Name: 1-ethyl-4-methyl-piperazine; 6-[(E)-2-(4-methoxyphenyl)vinyl]pyridine-3-carboxylic acid CAS Name: 1-ethyl-4-methylpiperazine; 6-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinecarboxylic acid IUPAC Name: 1-ethyl-4-methylpiperazine; 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid Traditional Name: 1-ethyl-4-methyl-piperazine; 6-[(E)-2-(4-methoxyphenyl)vinyl]nicotinic acid Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C.COC1=CC=C(C=C1)C=CC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C.COC1=CC=C(C=C1)/C=C/C2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H13NO3.C7H16N2/c1-19-14-8-3-11(4-9-14)2-6-13-7-5-12(10-16-13)15(17)18;1-3-9-6-4-8(2)5-7-9/h2-10H,1H3,(H,17,18);3-7H2,1-2H3/b6-2+;