(4-bromophenyl)methyl 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (4-bromophenyl)methyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (4-bromophenyl)methyl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid (4-bromobenzyl) ester Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrNO3/c22-18-3-1-14(2-4-18)13-26-19(24)5-6-23-20(25)21-10-15-7-16(11-21)9-17(8-15)12-21/h1-4,15-17H,5-13H2,(H,23,25)