methyl 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-(1-piperidin-4-ylethylamino)benzoate

Systemtic Name: methyl 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-(1-piperidin-4-ylethylamino)benzoate Openeye Name: methyl 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[1-(4-piperidyl)ethylamino]benzoate CAS Name: 4-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-[1-(4-piperidinyl)ethylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloropyridin-2-yl)carbamoyl]-3-(1-piperidin-4-ylethylamino)benzoate Traditional Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[1-(4-piperidyl)ethylamino]benzoic acid methyl ester Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCNCC1)NC2=C(C=CC(=C2)C(=O)OC)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C1CCNCC1)NC2=C(C=CC(=C2)C(=O)OC)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-13(14-7-9-23-10-8-14)25-18-11-15(21(28)29-2)3-5-17(18)20(27)26-19-6-4-16(22)12-24-19/h3-6,11-14,23,25H,7-10H2,1-2H3,(H,24,26,27)