[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]benzoate CAS Name: 3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]benzoic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-keto-2-piperidino-ethoxy)benzoic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C25H29ClN2O6 MolecularWeight: 488.96056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)C)OCC(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)C)OCC(=O)N3CCCCC3

InChI

InChI=1S/C25H29ClN2O6/c1-3-32-22-14-18(10-11-21(22)33-16-24(30)28-12-5-4-6-13-28)25(31)34-15-23(29)27-20-9-7-8-19(26)17(20)2/h7-11,14H,3-6,12-13,15-16H2,1-2H3,(H,27,29)