methyl 6-[2-[2-(2-benzamidoethanoylamino)ethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[2-(2-benzamidoethanoylamino)ethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-[(2-benzamidoacetyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[2-[(2-benzamido-1-oxoethyl)amino]-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-[(2-benzamidoacetyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-(hippuroylamino)acetyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C22H23N5O6 MolecularWeight: 453.44792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)CNC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)CNC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O6/c1-33-22(32)16-8-9-17(23-12-16)21(31)27-11-5-10-26(27)19(29)14-24-18(28)13-25-20(30)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,24,28)(H,25,30)