3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[homoveratryl(methyl)carbamoyl]pyrazinoic acid Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C17H19N3O5/c1-20(16(21)14-15(17(22)23)19-8-7-18-14)9-6-11-4-5-12(24-2)13(10-11)25-3/h4-5,7-8,10H,6,9H2,1-3H3,(H,22,23)