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

Systemtic Name: (4-chlorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (4-chlorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (4-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=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CC=C(C=C4)Cl

InChI

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