2-ethylhexyl 4-[4-(2-dimethylaminoethyl)-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]butanoate

Systemtic Name: 2-ethylhexyl 4-[4-(2-dimethylaminoethyl)-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]butanoate Openeye Name: 2-ethylhexyl 4-[4-(2-dimethylaminoethyl)-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl]butanoate CAS Name: 4-[4-(2-dimethylaminoethyl)-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl]butanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[4-(2-dimethylaminoethyl)-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl]butanoate Traditional Name: 4-[4-(2-dimethylaminoethyl)-3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl]butyric acid 2-ethylhexyl ester Formula: C31H43N3O4 MolecularWeight: 521.69082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CCN(C)C

Isomeric SMILES

CCCCC(CC)COC(=O)CCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CCN(C)C

InChI

InChI=1S/C31H43N3O4/c1-5-7-15-25(6-2)24-38-28(35)20-14-21-31(22-23-32(3)4)29(36)33(26-16-10-8-11-17-26)34(30(31)37)27-18-12-9-13-19-27/h8-13,16-19,25H,5-7,14-15,20-24H2,1-4H3