methyl 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloropyridin-2-yl)carbamoyl]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[[1-(4-pyridyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C25H24ClN5O4 MolecularWeight: 493.94216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)NC(=O)C3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)NC(=O)C3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C25H24ClN5O4/c1-35-25(34)17-2-4-20(24(33)30-22-5-3-18(26)15-28-22)21(14-17)29-23(32)16-8-12-31(13-9-16)19-6-10-27-11-7-19/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H,29,32)(H,28,30,33)