[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate

Systemtic Name: [2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate Openeye Name: [2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoate CAS Name: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoic acid [2-(5-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)propionic acid [2-(5-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C20H21ClN2O5/c1-12-6-7-13(21)10-16(12)22-17(24)11-28-18(25)8-9-23-19(26)14-4-2-3-5-15(14)20(23)27/h2-3,6-7,10,14-15H,4-5,8-9,11H2,1H3,(H,22,24)