2-[[3-(4-chlorophenyl)-1-adamantyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[3-(4-chlorophenyl)-1-adamantyl]carbonylamino]propanoic acid Openeye Name: 2-[[3-(4-chlorophenyl)adamantane-1-carbonyl]amino]propanoic acid CAS Name: 2-[[[3-(4-chlorophenyl)-1-adamantyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[3-(4-chlorophenyl)adamantane-1-carbonyl]amino]propanoic acid Traditional Name: 2-[[3-(4-chlorophenyl)adamantane-1-carbonyl]amino]propionic acid Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)O)NC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H24ClNO3/c1-12(17(23)24)22-18(25)20-9-13-6-14(10-20)8-19(7-13,11-20)15-2-4-16(21)5-3-15/h2-5,12-14H,6-11H2,1H3,(H,22,25)(H,23,24)