[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-17-6-5-9-20(12-17)28-11-10-23-21(26)16-29-22(27)13-18-14-24-25(15-18)19-7-3-2-4-8-19/h2-9,12,14-15H,10-11,13,16H2,1H3,(H,23,26)