2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(1-pentylbenzimidazol-2-yl)butanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(1-pentylbenzimidazol-2-yl)butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-(1-pentylbenzimidazol-2-yl)butanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(1-pentyl-2-benzimidazolyl)butanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(1-pentylbenzimidazol-2-yl)butanoic acid Traditional Name: 4-(1-amylbenzimidazol-2-yl)-2-(tert-butoxycarbonylamino)butyric acid Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2N=C1CCC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCN1C2=CC=CC=C2N=C1CCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-5-6-9-14-24-17-11-8-7-10-15(17)22-18(24)13-12-16(19(25)26)23-20(27)28-21(2,3)4/h7-8,10-11,16H,5-6,9,12-14H2,1-4H3,(H,23,27)(H,25,26)