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

Systemtic Name: (2-cyanophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (2-cyanophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (2-cyanobenzyl) ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C22H27N3O3/c23-13-18-3-1-2-4-19(18)14-28-20(26)5-6-24-21(27)25-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-4,15-17H,5-12,14H2,(H2,24,25,27)