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

Systemtic Name: methyl 3-[(5-chloranylpyridin-2-yl)carbamoyl]-4-[(1-propan-2-ylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(5-chloro-2-pyridyl)carbamoyl]-4-[(1-isopropylpiperidine-4-carbonyl)amino]benzoate CAS Name: 3-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-4-[[oxo-(1-propan-2-yl-4-piperidinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-chloropyridin-2-yl)carbamoyl]-4-[(1-propan-2-ylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 3-[(5-chloro-2-pyridyl)carbamoyl]-4-[(1-isopropylisonipecotoyl)amino]benzoic acid methyl ester Formula: C23H27ClN4O4 MolecularWeight: 458.93788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O4/c1-14(2)28-10-8-15(9-11-28)21(29)26-19-6-4-16(23(31)32-3)12-18(19)22(30)27-20-7-5-17(24)13-25-20/h4-7,12-15H,8-11H2,1-3H3,(H,26,29)(H,25,27,30)