2-[(2S,3R)-2,3-bis(4-hydroxyphenyl)pentyl]-5-oxidanylidene-1H-pyrazole-4-carboxylic acid

Systemtic Name: 2-[(2S,3R)-2,3-bis(4-hydroxyphenyl)pentyl]-5-oxidanylidene-1H-pyrazole-4-carboxylic acid Openeye Name: 2-[(2S,3R)-2,3-bis(4-hydroxyphenyl)pentyl]-5-oxo-1H-pyrazole-4-carboxylic acid CAS Name: 2-[(2S,3R)-2,3-bis(4-hydroxyphenyl)pentyl]-5-oxo-1H-pyrazole-4-carboxylic acid IUPAC Name: 2-[(2S,3R)-2,3-bis(4-hydroxyphenyl)pentyl]-5-oxo-1H-pyrazole-4-carboxylic acid Traditional Name: 1-[(2S,3R)-2,3-bis(4-hydroxyphenyl)pentyl]-3-keto-3-pyrazoline-4-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)O)C(CN2C=C(C(=O)N2)C(=O)O)C3=CC=C(C=C3)O

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)O)[C@H](CN2C=C(C(=O)N2)C(=O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H22N2O5/c1-2-17(13-3-7-15(24)8-4-13)18(14-5-9-16(25)10-6-14)11-23-12-19(21(27)28)20(26)22-23/h3-10,12,17-18,24-25H,2,11H2,1H3,(H,22,26)(H,27,28)/t17-,18+/m0/s1