(4-benzamidophenyl) 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (4-benzamidophenyl) 3-(1-adamantylcarbonylamino)propanoate Openeye Name: (4-benzamidophenyl) 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid (4-benzamidophenyl) ester IUPAC Name: (4-benzamidophenyl) 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid (4-benzamidophenyl) ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O4/c30-24(10-11-28-26(32)27-15-18-12-19(16-27)14-20(13-18)17-27)33-23-8-6-22(7-9-23)29-25(31)21-4-2-1-3-5-21/h1-9,18-20H,10-17H2,(H,28,32)(H,29,31)