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

Systemtic Name: 2-[4-(1-adamantylcarbonylamino)butanoylamino]benzoate Openeye Name: 2-[4-(adamantane-1-carbonylamino)butanoylamino]benzoate CAS Name: 2-[[4-[[1-adamantyl(oxo)methyl]amino]-1-oxobutyl]amino]benzoate IUPAC Name: 2-[4-(adamantane-1-carbonylamino)butanoylamino]benzoate Traditional Name: 2-[4-(adamantane-1-carbonylamino)butanoylamino]benzoate Formula: C22H27N2O4- MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C22H28N2O4/c25-19(24-18-5-2-1-4-17(18)20(26)27)6-3-7-23-21(28)22-11-14-8-15(12-22)10-16(9-14)13-22/h1-2,4-5,14-16H,3,6-13H2,(H,23,28)(H,24,25)(H,26,27)/p-1