3-[4-(1-adamantylcarbamoylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-(1-adamantylcarbamoylamino)phenyl]propanoic acid Openeye Name: 3-[4-(1-adamantylcarbamoylamino)phenyl]propanoic acid CAS Name: 3-[4-[[(1-adamantylamino)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-(1-adamantylcarbamoylamino)phenyl]propanoic acid Traditional Name: 3-[4-(1-adamantylcarbamoylamino)phenyl]propionic acid Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C20H26N2O3/c23-18(24)6-3-13-1-4-17(5-2-13)21-19(25)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-2,4-5,14-16H,3,6-12H2,(H,23,24)(H2,21,22,25)