methyl 2-(1-adamantylcarbamoylamino)-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-(1-adamantylcarbamoylamino)-4,5-dimethoxy-benzoate Openeye Name: methyl 2-(1-adamantylcarbamoylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-(1-adamantylcarbamoylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(1-adamantylcarbamoylamino)-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C21H28N2O5/c1-26-17-7-15(19(24)28-3)16(8-18(17)27-2)22-20(25)23-21-9-12-4-13(10-21)6-14(5-12)11-21/h7-8,12-14H,4-6,9-11H2,1-3H3,(H2,22,23,25)