(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 2-(phenylmethoxycarbonylamino)ethanoate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 2-(phenylmethoxycarbonylamino)ethanoate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 2-(benzyloxycarbonylamino)acetate CAS Name: 2-(phenylmethoxycarbonylamino)acetic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 2-(phenylmethoxycarbonylamino)acetate Traditional Name: 2-(benzyloxycarbonylamino)acetic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-2-3-19-25-27(34)31(23-15-9-5-10-16-23)32(24-17-11-6-12-18-24)28(25)37-26(33)20-30-29(35)36-21-22-13-7-4-8-14-22/h4-18H,2-3,19-21H2,1H3,(H,30,35)