[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)NC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)NC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C22H24ClN3O4/c23-18-6-17(2-1-16(18)10-24)26-19(27)12-30-20(28)11-25-21(29)22-7-13-3-14(8-22)5-15(4-13)9-22/h1-2,6,13-15H,3-5,7-9,11-12H2,(H,25,29)(H,26,27)