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

Systemtic Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxidanylidene-ethyl] 4-phenylmethoxybenzoate Openeye Name: [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxo-ethyl] 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic 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-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid [2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-keto-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)COC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C

InChI

InChI=1S/C24H27N3O4/c1-18-15-19(2)27(26-18)14-6-13-25-23(28)17-31-24(29)21-9-11-22(12-10-21)30-16-20-7-4-3-5-8-20/h3-5,7-12,15H,6,13-14,16-17H2,1-2H3,(H,25,28)