(E)-2-(1-adamantylamino)-4-phenyl-but-3-enoic acid

Systemtic Name: (E)-2-(1-adamantylamino)-4-phenyl-but-3-enoic acid Openeye Name: (E)-2-(1-adamantylamino)-4-phenyl-but-3-enoic acid CAS Name: (E)-2-(1-adamantylamino)-4-phenyl-3-butenoic acid IUPAC Name: (E)-2-(1-adamantylamino)-4-phenylbut-3-enoic acid Traditional Name: (E)-2-(1-adamantylamino)-4-phenyl-but-3-enoic acid Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(C=CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(/C=C/C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H25NO2/c22-19(23)18(7-6-14-4-2-1-3-5-14)21-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-7,15-18,21H,8-13H2,(H,22,23)/b7-6+