2-[(4-methoxycarbonylphenyl)methyl-pentanoyl-amino]pyridine-4-carboxylic acid

Systemtic Name: 2-[(4-methoxycarbonylphenyl)methyl-pentanoyl-amino]pyridine-4-carboxylic acid Openeye Name: 2-[(4-methoxycarbonylphenyl)methyl-pentanoyl-amino]pyridine-4-carboxylic acid CAS Name: 2-[(4-methoxycarbonylphenyl)methyl-(1-oxopentyl)amino]-4-pyridinecarboxylic acid IUPAC Name: 2-[(4-methoxycarbonylphenyl)methyl-pentanoylamino]pyridine-4-carboxylic acid Traditional Name: 2-[(4-carbomethoxybenzyl)-valeryl-amino]isonicotinic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)OC)C2=NC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)OC)C2=NC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H22N2O5/c1-3-4-5-18(23)22(17-12-16(19(24)25)10-11-21-17)13-14-6-8-15(9-7-14)20(26)27-2/h6-12H,3-5,13H2,1-2H3,(H,24,25)