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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=C(C=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NCCC1=CC=C(C=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H36N2O4/c1-16(2)22(23(29)27-9-8-17-4-6-21(7-5-17)24(30)32-3)28-25(31)26-13-18-10-19(14-26)12-20(11-18)15-26/h4-7,16,18-20,22H,8-15H2,1-3H3,(H,27,29)(H,28,31)