[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(2-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C22H27ClN2O4/c1-13-2-3-18(17(23)4-13)25-19(26)12-29-20(27)11-24-21(28)22-8-14-5-15(9-22)7-16(6-14)10-22/h2-4,14-16H,5-12H2,1H3,(H,24,28)(H,25,26)