3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-(homoveratrylcarbamoyl)pyrazinoic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NC=CN=C2C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NC=CN=C2C(=O)O)OC

InChI

InChI=1S/C16H17N3O5/c1-23-11-4-3-10(9-12(11)24-2)5-6-19-15(20)13-14(16(21)22)18-8-7-17-13/h3-4,7-9H,5-6H2,1-2H3,(H,19,20)(H,21,22)