[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 5-[(3-chloranyl-4-methyl-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 5-[(3-chloranyl-4-methyl-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 5-(3-chloro-4-methyl-anilino)-5-oxo-pentanoate CAS Name: 5-(3-chloro-4-methylanilino)-5-oxopentanoic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 5-(3-chloro-4-methylanilino)-5-oxopentanoate Traditional Name: 5-(3-chloro-4-methyl-anilino)-5-keto-valeric acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC(=CC=C2)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC(=CC=C2)OC)Cl

InChI

InChI=1S/C21H22ClNO5/c1-14-9-10-16(12-18(14)22)23-20(25)7-4-8-21(26)28-13-19(24)15-5-3-6-17(11-15)27-2/h3,5-6,9-12H,4,7-8,13H2,1-2H3,(H,23,25)