ethyl (6R)-6-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: ethyl (6R)-6-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: ethyl (6R)-6-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(4-tert-butylphenyl)-4-keto-3-(4-methoxyphenyl)-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C[C@H](CC2=O)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H31NO4/c1-6-33-27(31)26-24(18-9-13-21(32-5)14-10-18)25-22(29-26)15-19(16-23(25)30)17-7-11-20(12-8-17)28(2,3)4/h7-14,19,29H,6,15-16H2,1-5H3/t19-/m1/s1