methyl 6-[3-[3-[(5-chloranyl-2-methoxy-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[3-[3-[(5-chloranyl-2-methoxy-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[3-[3-(5-chloro-2-methoxy-anilino)-3-oxo-propyl]-1-piperidyl]pyridine-3-carboxylate CAS Name: 6-[3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-1-piperidinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[3-[3-(5-chloro-2-methoxy-anilino)-3-keto-propyl]piperidino]nicotinic acid methyl ester Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CCC2CCCN(C2)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CCC2CCCN(C2)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26ClN3O4/c1-29-19-8-7-17(23)12-18(19)25-21(27)10-5-15-4-3-11-26(14-15)20-9-6-16(13-24-20)22(28)30-2/h6-9,12-13,15H,3-5,10-11,14H2,1-2H3,(H,25,27)