2-[[3-[2-(1-adamantyl)ethyl]-2-butyl-imidazol-4-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-[2-(1-adamantyl)ethyl]-2-butyl-imidazol-4-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-[2-(1-adamantyl)ethyl]-2-butyl-imidazol-4-yl]methylamino]-3-phenyl-propanoic acid CAS Name: 2-[[3-[2-(1-adamantyl)ethyl]-2-butyl-4-imidazolyl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[3-[2-(1-adamantyl)ethyl]-2-butyl-imidazol-4-yl]methylamino]-3-phenyl-propionic acid Formula: C29H41N3O2 MolecularWeight: 463.65474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CCC23CC4CC(C2)CC(C4)C3)CNC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CCC23CC4CC(C2)CC(C4)C3)CNC(CC5=CC=CC=C5)C(=O)O

InChI

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