[4-(2-pyrazol-1-ylethanoylamino)phenyl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [4-(2-pyrazol-1-ylethanoylamino)phenyl] 4-(3-methylphenoxy)butanoate Openeye Name: [4-[(2-pyrazol-1-ylacetyl)amino]phenyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [4-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]phenyl] ester IUPAC Name: [4-[(2-pyrazol-1-ylacetyl)amino]phenyl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [4-[(2-pyrazol-1-ylacetyl)amino]phenyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OC2=CC=C(C=C2)NC(=O)CN3C=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OC2=CC=C(C=C2)NC(=O)CN3C=CC=N3

InChI

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