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

Systemtic Name: ethyl 3-[[2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]-4-imidazol-1-yl-benzoate Openeye Name: ethyl 3-[[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]-4-imidazol-1-yl-benzoate CAS Name: 3-[[2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-4-(1-imidazolyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]-4-imidazol-1-ylbenzoate Traditional Name: 3-[[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]-4-imidazol-1-yl-benzoic acid ethyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2C=CN=C2)NC(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2C=CN=C2)NC(=O)C(C(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H36N4O4/c1-4-36-26(34)21-5-6-23(32-8-7-29-16-32)22(12-21)30-25(33)24(17(2)3)31-27(35)28-13-18-9-19(14-28)11-20(10-18)15-28/h5-8,12,16-20,24H,4,9-11,13-15H2,1-3H3,(H,30,33)(H,31,35)