methyl 3-[(6-chloranylpyridin-3-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(6-chloranylpyridin-3-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(6-chloropyridine-3-carbonyl)amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(6-chloropyridine-3-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(6-chloronicotinoyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O3/c1-25-18(24)12-4-6-15(22-8-2-3-9-22)14(10-12)21-17(23)13-5-7-16(19)20-11-13/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23)