3-(1-adamantylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propionamide Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O4/c27-21(25-14-15-1-2-19-20(10-15)30-6-5-29-19)3-4-24-22(28)26-23-11-16-7-17(12-23)9-18(8-16)13-23/h1-2,10,16-18H,3-9,11-14H2,(H,25,27)(H2,24,26,28)