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

Systemtic Name: ethyl 3-[3-(1-adamantylcarbamoylamino)propanoylamino]benzoate Openeye Name: ethyl 3-[3-(1-adamantylcarbamoylamino)propanoylamino]benzoate CAS Name: 3-[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(1-adamantylcarbamoylamino)propanoylamino]benzoate Traditional Name: 3-[3-(1-adamantylcarbamoylamino)propanoylamino]benzoic acid ethyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4/c1-2-30-21(28)18-4-3-5-19(11-18)25-20(27)6-7-24-22(29)26-23-12-15-8-16(13-23)10-17(9-15)14-23/h3-5,11,15-17H,2,6-10,12-14H2,1H3,(H,25,27)(H2,24,26,29)