[4-(methylcarbamoyl)phenyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [4-(methylcarbamoyl)phenyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [4-(methylcarbamoyl)phenyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [4-(methylcarbamoyl)phenyl] ester IUPAC Name: [4-(methylcarbamoyl)phenyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [4-(methylcarbamoyl)phenyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

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