methyl 3-[2-(1-adamantylcarbonylamino)propanoylamino]benzoate

Systemtic Name: methyl 3-[2-(1-adamantylcarbonylamino)propanoylamino]benzoate Openeye Name: methyl 3-[2-(adamantane-1-carbonylamino)propanoylamino]benzoate CAS Name: 3-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(adamantane-1-carbonylamino)propanoylamino]benzoate Traditional Name: 3-[2-(adamantane-1-carbonylamino)propanoylamino]benzoic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28N2O4/c1-13(19(25)24-18-5-3-4-17(9-18)20(26)28-2)23-21(27)22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,13-16H,6-8,10-12H2,1-2H3,(H,23,27)(H,24,25)