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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1-adamantyl]carbonylamino]propanoic acid Openeye Name: 2-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]propanoic acid CAS Name: 2-[[[3-(4-methoxyphenyl)-1-adamantyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]propanoic acid Traditional Name: 2-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]propionic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-13(18(23)24)22-19(25)21-10-14-7-15(11-21)9-20(8-14,12-21)16-3-5-17(26-2)6-4-16/h3-6,13-15H,7-12H2,1-2H3,(H,22,25)(H,23,24)