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

Systemtic Name: heptyl 6-(4-tert-butylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: heptyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: 6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid heptyl ester IUPAC Name: heptyl 6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: 6-(4-tert-butylphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid heptyl ester Formula: C27H37NO3 MolecularWeight: 423.58758

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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)C(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO3/c1-6-7-8-9-10-15-31-26(30)25-18(2)24-22(28-25)16-20(17-23(24)29)19-11-13-21(14-12-19)27(3,4)5/h11-14,20,28H,6-10,15-17H2,1-5H3