3-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[(4-butylanilino)-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(4-butylphenyl)carbamoyl]pyrazinoic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C16H17N3O3/c1-2-3-4-11-5-7-12(8-6-11)19-15(20)13-14(16(21)22)18-10-9-17-13/h5-10H,2-4H2,1H3,(H,19,20)(H,21,22)