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

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

Isomeric SMILES

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

InChI

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