methyl 2-[4-(1-adamantylcarbonylamino)butanoylamino]benzoate

Systemtic Name: methyl 2-[4-(1-adamantylcarbonylamino)butanoylamino]benzoate Openeye Name: methyl 2-[4-(adamantane-1-carbonylamino)butanoylamino]benzoate CAS Name: 2-[[4-[[1-adamantyl(oxo)methyl]amino]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(adamantane-1-carbonylamino)butanoylamino]benzoate Traditional Name: 2-[4-(adamantane-1-carbonylamino)butanoylamino]benzoic acid methyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O4/c1-29-21(27)18-5-2-3-6-19(18)25-20(26)7-4-8-24-22(28)23-12-15-9-16(13-23)11-17(10-15)14-23/h2-3,5-6,15-17H,4,7-14H2,1H3,(H,24,28)(H,25,26)