(4-pyrazol-1-ylphenyl)methyl 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(2-chlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(2-chlorobenzoyl)amino]-3-phenyl-propionic acid (4-pyrazol-1-ylbenzyl) ester Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H22ClN3O3/c27-23-10-5-4-9-22(23)26(32)29-24(20-7-2-1-3-8-20)17-25(31)33-18-19-11-13-21(14-12-19)30-16-6-15-28-30/h1-16,24H,17-18H2,(H,29,32)