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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H26ClN3O5 MolecularWeight: 435.90124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O5/c1-29-17-6-16(23)15(22)5-14(17)19(27)30-10-18(26)24-20(28)25-21-7-11-2-12(8-21)4-13(3-11)9-21/h5-6,11-13H,2-4,7-10,23H2,1H3,(H2,24,25,26,28)