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

Systemtic Name: 4-[2-[2-[3-methyl-4-(3-phenethylphenyl)butyl]-5-oxidanylidene-pyrazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[2-[3-methyl-4-(3-phenethylphenyl)butyl]-5-oxo-pyrazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[2-[3-methyl-4-(3-phenethylphenyl)butyl]-5-oxo-1-pyrazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[2-[3-methyl-4-(3-phenethylphenyl)butyl]-5-oxopyrazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[5-keto-2-[3-methyl-4-(3-phenethylphenyl)butyl]pyrazolidin-1-yl]ethyl]benzoic acid Formula: C31H36N2O3 MolecularWeight: 484.62914

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)CC3=CC=CC(=C3)CCC4=CC=CC=C4

Isomeric SMILES

CC(CCN1CCC(=O)N1CCC2=CC=C(C=C2)C(=O)O)CC3=CC=CC(=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C31H36N2O3/c1-24(22-28-9-5-8-27(23-28)11-10-25-6-3-2-4-7-25)16-19-32-20-18-30(34)33(32)21-17-26-12-14-29(15-13-26)31(35)36/h2-9,12-15,23-24H,10-11,16-22H2,1H3,(H,35,36)