[(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [(3Z)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [(3Z)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4)C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4)C)C

InChI

InChI=1S/C25H25N3O3/c1-25(2)21-7-4-5-8-22(21)27(3)23(25)15-20(29)17-31-24(30)19-11-9-18(10-12-19)16-28-14-6-13-26-28/h4-15H,16-17H2,1-3H3/b23-15-