3-[3-[2-(1-adamantyl)ethyl]-2-butyl-phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid

Systemtic Name: 3-[3-[2-(1-adamantyl)ethyl]-2-butyl-phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-[3-[2-(1-adamantyl)ethyl]-2-butyl-phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-[3-[2-(1-adamantyl)ethyl]-2-butylphenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-[3-[2-(1-adamantyl)ethyl]-2-butylphenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-[3-[2-(1-adamantyl)ethyl]-2-butyl-phenyl]-2-(1H-imidazol-5-ylmethylamino)propionic acid Formula: C29H41N3O2 MolecularWeight: 463.65474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1CC(C(=O)O)NCC2=CN=CN2)CCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCC1=C(C=CC=C1CC(C(=O)O)NCC2=CN=CN2)CCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H41N3O2/c1-2-3-7-26-23(8-9-29-14-20-10-21(15-29)12-22(11-20)16-29)5-4-6-24(26)13-27(28(33)34)31-18-25-17-30-19-32-25/h4-6,17,19-22,27,31H,2-3,7-16,18H2,1H3,(H,30,32)(H,33,34)