4-[4-[2-[furan-2-ylmethyl(phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-[furan-2-ylmethyl(phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-[N-(2-furylmethyl)anilino]-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-[N-(2-furanylmethyl)anilino]-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-[N-(2-furfuryl)anilino]-2-keto-ethyl]piperazino]benzoic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N(CC2=CC=CO2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)N(CC2=CC=CO2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H25N3O4/c28-23(27(17-22-7-4-16-31-22)21-5-2-1-3-6-21)18-25-12-14-26(15-13-25)20-10-8-19(9-11-20)24(29)30/h1-11,16H,12-15,17-18H2,(H,29,30)