methyl 4-[[2-(1-adamantylcarbonylamino)ethanoyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1-adamantylcarbonylamino)ethanoyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[2-(adamantane-1-carbonylamino)acetyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(adamantane-1-carbonylamino)acetyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[2-(adamantane-1-carbonylamino)acetyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O4/c1-25(14-15-3-5-19(6-4-15)21(27)29-2)20(26)13-24-22(28)23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,7-14H2,1-2H3,(H,24,28)