3-[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(2-ketochromen-3-yl)-4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]pyrazol-1-yl]propionic acid Formula: C27H23N5O5 MolecularWeight: 497.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CN(N=C3C4=CC5=CC=CC=C5OC4=O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CN(N=C3C4=CC5=CC=CC=C5OC4=O)CCC(=O)O

InChI

InChI=1S/C27H23N5O5/c1-17-24(26(35)32(30(17)2)20-9-4-3-5-10-20)28-15-19-16-31(13-12-23(33)34)29-25(19)21-14-18-8-6-7-11-22(18)37-27(21)36/h3-11,14-16H,12-13H2,1-2H3,(H,33,34)