ethyl 3-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 3-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 3-[[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]-ethyl-carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]-ethyl-carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C20H28ClN3O4 MolecularWeight: 409.90702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C2CCCN(C2)C(=O)OCC

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C2CCCN(C2)C(=O)OCC

InChI

InChI=1S/C20H28ClN3O4/c1-4-23(13-18(25)22-17-11-16(21)9-8-14(17)3)19(26)15-7-6-10-24(12-15)20(27)28-5-2/h8-9,11,15H,4-7,10,12-13H2,1-3H3,(H,22,25)