4-[2-[2-[4-(3-methylphenyl)-3-oxidanyl-butyl]-5-oxidanylidene-pyrazolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2-[4-(3-methylphenyl)-3-oxidanyl-butyl]-5-oxidanylidene-pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[3-hydroxy-4-(m-tolyl)butyl]-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[3-hydroxy-4-(3-methylphenyl)butyl]-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[3-hydroxy-4-(3-methylphenyl)butyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-[3-hydroxy-4-(m-tolyl)butyl]-5-keto-pyrazolidin-1-yl]ethyl]benzoic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(CCN2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC(CCN2CCC(=O)N2CCC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C23H28N2O4/c1-17-3-2-4-19(15-17)16-21(26)10-12-24-13-11-22(27)25(24)14-9-18-5-7-20(8-6-18)23(28)29/h2-8,15,21,26H,9-14,16H2,1H3,(H,28,29)