methyl 2-[3-(1-adamantylcarbonylamino)propanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[3-(1-adamantylcarbonylamino)propanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[3-(adamantane-1-carbonylamino)propanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[3-(adamantane-1-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[3-(adamantane-1-carbonylamino)propanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C24H32N2O6 MolecularWeight: 444.52068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C24H32N2O6/c1-30-19-9-17(22(28)32-3)18(10-20(19)31-2)26-21(27)4-5-25-23(29)24-11-14-6-15(12-24)8-16(7-14)13-24/h9-10,14-16H,4-8,11-13H2,1-3H3,(H,25,29)(H,26,27)