ethane; methyl 2-[[3-chloranylpropyl-(6-methylpyridin-2-yl)carbonyl-carbamoyl]amino]benzoate

Systemtic Name: ethane; methyl 2-[[3-chloranylpropyl-(6-methylpyridin-2-yl)carbonyl-carbamoyl]amino]benzoate Openeye Name: ethane; methyl 2-[[3-chloropropyl-(6-methylpyridine-2-carbonyl)carbamoyl]amino]benzoate CAS Name: 2-[[[3-chloropropyl-[(6-methyl-2-pyridinyl)-oxomethyl]amino]-oxomethyl]amino]benzoic acid methyl ester; ethane IUPAC Name: ethane; methyl 2-[[3-chloropropyl-(6-methylpyridine-2-carbonyl)carbamoyl]amino]benzoate Traditional Name: 2-[[3-chloropropyl-(6-methylpicolinoyl)carbamoyl]amino]benzoic acid methyl ester; ethane Formula: C21H26ClN3O4 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC1=CC=CC(=N1)C(=O)N(CCCCl)C(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC.CC1=CC=CC(=N1)C(=O)N(CCCCl)C(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C19H20ClN3O4.C2H6/c1-13-7-5-10-16(21-13)17(24)23(12-6-11-20)19(26)22-15-9-4-3-8-14(15)18(25)27-2;1-2/h3-5,7-10H,6,11-12H2,1-2H3,(H,22,26);1-2H3