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

Systemtic Name: methyl 3-[[2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]-4-chloro-benzoic acid methyl ester Formula: C24H31ClN2O4 MolecularWeight: 446.96694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31ClN2O4/c1-13(2)20(21(28)26-19-9-17(22(29)31-3)4-5-18(19)25)27-23(30)24-10-14-6-15(11-24)8-16(7-14)12-24/h4-5,9,13-16,20H,6-8,10-12H2,1-3H3,(H,26,28)(H,27,30)