4-[4-(1-adamantylcarbamoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-(1-adamantylcarbamoylamino)phenyl]butanoic acid Openeye Name: 4-[4-(1-adamantylcarbamoylamino)phenyl]butanoic acid CAS Name: 4-[4-[[(1-adamantylamino)-oxomethyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-(1-adamantylcarbamoylamino)phenyl]butanoic acid Traditional Name: 4-[4-(1-adamantylcarbamoylamino)phenyl]butyric acid Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c24-19(25)3-1-2-14-4-6-18(7-5-14)22-20(26)23-21-11-15-8-16(12-21)10-17(9-15)13-21/h4-7,15-17H,1-3,8-13H2,(H,24,25)(H2,22,23,26)