2-[4-(1-adamantylcarbonylamino)butanoylamino]benzoic acid

Systemtic Name: 2-[4-(1-adamantylcarbonylamino)butanoylamino]benzoic acid Openeye Name: 2-[4-(adamantane-1-carbonylamino)butanoylamino]benzoic acid CAS Name: 2-[[4-[[1-adamantyl(oxo)methyl]amino]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[4-(adamantane-1-carbonylamino)butanoylamino]benzoic acid Traditional Name: 2-[4-(adamantane-1-carbonylamino)butanoylamino]benzoic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

Click to see the large picture

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)