2-oxidanyl-2-phenyl-ethanoic acid; 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole

Systemtic Name: 2-oxidanyl-2-phenyl-ethanoic acid; 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole Openeye Name: 2-hydroxy-2-phenyl-acetic acid; 6-isopropyl-2-(4-piperidyl)-1H-benzimidazole CAS Name: 2-hydroxy-2-phenylacetic acid; 2-(4-piperidinyl)-6-propan-2-yl-1H-benzimidazole IUPAC Name: 2-hydroxy-2-phenylacetic acid; 2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole Traditional Name: 6-isopropyl-2-(4-piperidyl)-1H-benzimidazole; madelic acid Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(N2)C3CCNCC3.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(N2)C3CCNCC3.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C15H21N3.C8H8O3/c1-10(2)12-3-4-13-14(9-12)18-15(17-13)11-5-7-16-8-6-11;9-7(8(10)11)6-4-2-1-3-5-6/h3-4,9-11,16H,5-8H2,1-2H3,(H,17,18);1-5,7,9H,(H,10,11)