[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(C=C(C=C4)Cl)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=C(C=C(C=C4)Cl)N

InChI

InChI=1S/C19H22ClNO3/c20-14-1-2-15(16(21)6-14)18(23)24-10-17(22)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10,21H2