2-[3,4-bis(phenylmethyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propanoic acid

Systemtic Name: 2-[3,4-bis(phenylmethyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propanoic acid Openeye Name: 2-(3,4-dibenzylpiperazin-1-yl)-3-thiazol-4-yl-propanoic acid CAS Name: 2-[3,4-bis(phenylmethyl)-1-piperazinyl]-3-(4-thiazolyl)propanoic acid IUPAC Name: 2-(3,4-dibenzylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)propanoic acid Traditional Name: 2-(3,4-dibenzylpiperazino)-3-thiazol-4-yl-propionic acid Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(CC2=CSC=N2)C(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1C(CC2=CSC=N2)C(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c28-24(29)23(14-21-17-30-18-25-21)27-12-11-26(15-20-9-5-2-6-10-20)22(16-27)13-19-7-3-1-4-8-19/h1-10,17-18,22-23H,11-16H2,(H,28,29)