methyl 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-(piperidin-4-ylmethylamino)benzoate

Systemtic Name: methyl 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-(piperidin-4-ylmethylamino)benzoate Openeye Name: methyl 4-[(5-chloro-2-pyridyl)carbamoyl]-3-(4-piperidylmethylamino)benzoate CAS Name: 4-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-(4-piperidinylmethylamino)benzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloropyridin-2-yl)carbamoyl]-3-(piperidin-4-ylmethylamino)benzoate Traditional Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-3-(4-piperidylmethylamino)benzoic acid methyl ester Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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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)NCC3CCNCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)NC2=NC=C(C=C2)Cl)NCC3CCNCC3

InChI

InChI=1S/C20H23ClN4O3/c1-28-20(27)14-2-4-16(19(26)25-18-5-3-15(21)12-24-18)17(10-14)23-11-13-6-8-22-9-7-13/h2-5,10,12-13,22-23H,6-9,11H2,1H3,(H,24,25,26)