heptyl 6-(4-ethylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: heptyl 6-(4-ethylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: heptyl 6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: 6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid heptyl ester IUPAC Name: heptyl 6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: 6-(4-ethylphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid heptyl ester Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)CC)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)CC)C

InChI

InChI=1S/C25H33NO3/c1-4-6-7-8-9-14-29-25(28)24-17(3)23-21(26-24)15-20(16-22(23)27)19-12-10-18(5-2)11-13-19/h10-13,20,26H,4-9,14-16H2,1-3H3