[3-cyano-3-(4-methylphenyl)propyl] (E)-3-oxidanylidene-5-(2-prop-2-ynylphenyl)pent-4-enoate

Systemtic Name: [3-cyano-3-(4-methylphenyl)propyl] (E)-3-oxidanylidene-5-(2-prop-2-ynylphenyl)pent-4-enoate Openeye Name: [3-cyano-3-(p-tolyl)propyl] (E)-3-oxo-5-(2-prop-2-ynylphenyl)pent-4-enoate CAS Name: (E)-3-oxo-5-(2-prop-2-ynylphenyl)-4-pentenoic acid [3-cyano-3-(4-methylphenyl)propyl] ester IUPAC Name: [3-cyano-3-(4-methylphenyl)propyl] (E)-3-oxo-5-(2-prop-2-ynylphenyl)pent-4-enoate Traditional Name: (E)-3-keto-5-(2-propargylphenyl)pent-4-enoic acid [3-cyano-3-(p-tolyl)propyl] ester Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCOC(=O)CC(=O)C=CC2=CC=CC=C2CC#C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(CCOC(=O)CC(=O)/C=C/C2=CC=CC=C2CC#C)C#N

InChI

InChI=1S/C25H23NO3/c1-3-6-20-7-4-5-8-21(20)13-14-24(27)17-25(28)29-16-15-23(18-26)22-11-9-19(2)10-12-22/h1,4-5,7-14,23H,6,15-17H2,2H3/b14-13+