3-(1H-imidazol-5-yl)-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propanoic acid Openeye Name: 3-[(1-benzyl-4-piperidyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-3-[[1-(phenylmethyl)-4-piperidinyl]amino]propanoic acid IUPAC Name: 3-[(1-benzylpiperidin-4-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-[(1-benzyl-4-piperidyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C18H24N4O2 MolecularWeight: 328.40876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(CC(=O)O)C2=CN=CN2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(CC(=O)O)C2=CN=CN2)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O2/c23-18(24)10-16(17-11-19-13-20-17)21-15-6-8-22(9-7-15)12-14-4-2-1-3-5-14/h1-5,11,13,15-16,21H,6-10,12H2,(H,19,20)(H,23,24)