[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl] 4-phenoxybenzoate

Systemtic Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl] 4-phenoxybenzoate Openeye Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxo-ethyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid [2-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-keto-ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O4/c1-17-15-18(2)26(25-17)14-6-13-24-22(27)16-29-23(28)19-9-11-21(12-10-19)30-20-7-4-3-5-8-20/h3-5,7-12,15H,6,13-14,16H2,1-2H3,(H,24,27)