[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H25ClN2O4 MolecularWeight: 392.8765

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)Cl)N

InChI

InChI=1S/C20H25ClN2O4/c1-26-17-6-16(22)15(21)5-14(17)19(25)27-10-18(24)23-20-7-11-2-12(8-20)4-13(3-11)9-20/h5-6,11-13H,2-4,7-10,22H2,1H3,(H,23,24)