2-[[1-[3,5-bis(chloranyl)phenyl]piperidin-4-yl]carbonylamino]-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-[[1-[3,5-bis(chloranyl)phenyl]piperidin-4-yl]carbonylamino]-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(1-benzylimidazol-4-yl)-2-[[1-(3,5-dichlorophenyl)piperidine-4-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-(3,5-dichlorophenyl)-4-piperidinyl]-oxomethyl]amino]-3-[1-(phenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(1-benzylimidazol-4-yl)-2-[[1-(3,5-dichlorophenyl)piperidine-4-carbonyl]amino]propanoic acid Traditional Name: 3-(1-benzylimidazol-4-yl)-2-[[1-(3,5-dichlorophenyl)isonipecotoyl]amino]propionic acid Formula: C25H26Cl2N4O3 MolecularWeight: 501.40494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CN(C=N2)CC3=CC=CC=C3)C(=O)O)C4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC2=CN(C=N2)CC3=CC=CC=C3)C(=O)O)C4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C25H26Cl2N4O3/c26-19-10-20(27)12-22(11-19)31-8-6-18(7-9-31)24(32)29-23(25(33)34)13-21-15-30(16-28-21)14-17-4-2-1-3-5-17/h1-5,10-12,15-16,18,23H,6-9,13-14H2,(H,29,32)(H,33,34)