(2-chlorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (2-chlorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (2-chlorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (2-chlorobenzyl) ester Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CC=CC=C4Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H27ClN2O3/c22-18-4-2-1-3-17(18)13-27-19(25)5-6-23-20(26)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16H,5-13H2,(H2,23,24,26)