3-methoxy-5-(2-methylpropyl)-6-phenylmethoxy-pyrazine-2-carboxylic acid

Systemtic Name: 3-methoxy-5-(2-methylpropyl)-6-phenylmethoxy-pyrazine-2-carboxylic acid Openeye Name: 6-benzyloxy-5-isobutyl-3-methoxy-pyrazine-2-carboxylic acid CAS Name: 3-methoxy-5-(2-methylpropyl)-6-phenylmethoxy-2-pyrazinecarboxylic acid IUPAC Name: 3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazine-2-carboxylic acid Traditional Name: 6-benzoxy-5-isobutyl-3-methoxy-pyrazinoic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(N=C1OCC2=CC=CC=C2)C(=O)O)OC

Isomeric SMILES

CC(C)CC1=NC(=C(N=C1OCC2=CC=CC=C2)C(=O)O)OC

InChI

InChI=1S/C17H20N2O4/c1-11(2)9-13-15(23-10-12-7-5-4-6-8-12)19-14(17(20)21)16(18-13)22-3/h4-8,11H,9-10H2,1-3H3,(H,20,21)