methyl 3-[3-(1-adamantylcarbamoylamino)propanoylamino]benzoate

Systemtic Name: methyl 3-[3-(1-adamantylcarbamoylamino)propanoylamino]benzoate Openeye Name: methyl 3-[3-(1-adamantylcarbamoylamino)propanoylamino]benzoate CAS Name: 3-[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(1-adamantylcarbamoylamino)propanoylamino]benzoate Traditional Name: 3-[3-(1-adamantylcarbamoylamino)propanoylamino]benzoic acid methyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29N3O4/c1-29-20(27)17-3-2-4-18(10-17)24-19(26)5-6-23-21(28)25-22-11-14-7-15(12-22)9-16(8-14)13-22/h2-4,10,14-16H,5-9,11-13H2,1H3,(H,24,26)(H2,23,25,28)