ethyl 1-cyano-3-(4-ethoxycarbonylphenyl)-2-hexyl-indene-1-carboxylate

Systemtic Name: ethyl 1-cyano-3-(4-ethoxycarbonylphenyl)-2-hexyl-indene-1-carboxylate Openeye Name: ethyl 1-cyano-3-(4-ethoxycarbonylphenyl)-2-hexyl-indene-1-carboxylate CAS Name: 1-cyano-3-(4-ethoxycarbonylphenyl)-2-hexyl-1-indenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-3-(4-ethoxycarbonylphenyl)-2-hexylindene-1-carboxylate Traditional Name: 3-(4-carbethoxyphenyl)-1-cyano-2-hexyl-indene-1-carboxylic acid ethyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC=CC=C2C1(C#N)C(=O)OCC)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCCC1=C(C2=CC=CC=C2C1(C#N)C(=O)OCC)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C28H31NO4/c1-4-7-8-9-14-24-25(20-15-17-21(18-16-20)26(30)32-5-2)22-12-10-11-13-23(22)28(24,19-29)27(31)33-6-3/h10-13,15-18H,4-9,14H2,1-3H3