methyl 3-[4-(1-adamantylcarbonylamino)butanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[4-(1-adamantylcarbonylamino)butanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[4-(adamantane-1-carbonylamino)butanoylamino]-4-methyl-benzoate CAS Name: 3-[[4-[[1-adamantyl(oxo)methyl]amino]-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-(adamantane-1-carbonylamino)butanoylamino]-4-methylbenzoate Traditional Name: 3-[4-(adamantane-1-carbonylamino)butanoylamino]-4-methyl-benzoic acid methyl ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4/c1-15-5-6-19(22(28)30-2)11-20(15)26-21(27)4-3-7-25-23(29)24-12-16-8-17(13-24)10-18(9-16)14-24/h5-6,11,16-18H,3-4,7-10,12-14H2,1-2H3,(H,25,29)(H,26,27)