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

Systemtic Name: methyl 4-[3-(1-adamantylcarbonylamino)propanoylamino]benzoate Openeye Name: methyl 4-[3-(adamantane-1-carbonylamino)propanoylamino]benzoate CAS Name: 4-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(adamantane-1-carbonylamino)propanoylamino]benzoate Traditional Name: 4-[3-(adamantane-1-carbonylamino)propanoylamino]benzoic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28N2O4/c1-28-20(26)17-2-4-18(5-3-17)24-19(25)6-7-23-21(27)22-11-14-8-15(12-22)10-16(9-14)13-22/h2-5,14-16H,6-13H2,1H3,(H,23,27)(H,24,25)