butyl (E)-3-[3-[(E)-3-butoxy-3-oxidanylidene-prop-1-enyl]-2-pyrazol-1-yl-phenyl]prop-2-enoate

Systemtic Name: butyl (E)-3-[3-[(E)-3-butoxy-3-oxidanylidene-prop-1-enyl]-2-pyrazol-1-yl-phenyl]prop-2-enoate Openeye Name: butyl (E)-3-[3-[(E)-3-butoxy-3-oxo-prop-1-enyl]-2-pyrazol-1-yl-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(E)-3-butoxy-3-oxoprop-1-enyl]-2-(1-pyrazolyl)phenyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-[3-[(E)-3-butoxy-3-oxoprop-1-enyl]-2-pyrazol-1-ylphenyl]prop-2-enoate Traditional Name: (E)-3-[3-[(E)-3-butoxy-3-keto-prop-1-enyl]-2-pyrazol-1-yl-phenyl]acrylic acid butyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=CC1=C(C(=CC=C1)C=CC(=O)OCCCC)N2C=CC=N2

Isomeric SMILES

CCCCOC(=O)/C=C/C1=C(C(=CC=C1)/C=C/C(=O)OCCCC)N2C=CC=N2

InChI

InChI=1S/C23H28N2O4/c1-3-5-17-28-21(26)13-11-19-9-7-10-20(23(19)25-16-8-15-24-25)12-14-22(27)29-18-6-4-2/h7-16H,3-6,17-18H2,1-2H3/b13-11+,14-12+