methyl 4-[[[2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)CC1=CC=C(C=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)N(C)CC1=CC=C(C=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H36N2O4/c1-16(2)22(23(29)28(3)15-17-5-7-21(8-6-17)24(30)32-4)27-25(31)26-12-18-9-19(13-26)11-20(10-18)14-26/h5-8,16,18-20,22H,9-15H2,1-4H3,(H,27,31)