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

Systemtic Name: methyl 4-[(5-chloranylpyridin-2-yl)carbamoyl]-3-[1-(1-propan-2-ylpiperidin-4-yl)ethylamino]benzoate Openeye Name: methyl 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[1-(1-isopropyl-4-piperidyl)ethylamino]benzoate CAS Name: 4-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-[1-(1-propan-2-yl-4-piperidinyl)ethylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-chloropyridin-2-yl)carbamoyl]-3-[1-(1-propan-2-ylpiperidin-4-yl)ethylamino]benzoate Traditional Name: 4-[(5-chloro-2-pyridyl)carbamoyl]-3-[1-(1-isopropyl-4-piperidyl)ethylamino]benzoic acid methyl ester Formula: C24H31ClN4O3 MolecularWeight: 458.98094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)C(C)NC2=C(C=CC(=C2)C(=O)OC)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)N1CCC(CC1)C(C)NC2=C(C=CC(=C2)C(=O)OC)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C24H31ClN4O3/c1-15(2)29-11-9-17(10-12-29)16(3)27-21-13-18(24(31)32-4)5-7-20(21)23(30)28-22-8-6-19(25)14-26-22/h5-8,13-17,27H,9-12H2,1-4H3,(H,26,28,30)