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

Systemtic Name: ethyl (6R)-6-(4-tert-butylphenyl)-4-oxidanylidene-3-(phenylmethyl)-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: ethyl (6R)-3-benzyl-6-(4-tert-butylphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(4-tert-butylphenyl)-4-oxo-3-(phenylmethyl)-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3-benzyl-6-(4-tert-butylphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-3-benzyl-6-(4-tert-butylphenyl)-4-keto-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C[C@H](CC2=O)C3=CC=C(C=C3)C(C)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C28H31NO3/c1-5-32-27(31)26-22(15-18-9-7-6-8-10-18)25-23(29-26)16-20(17-24(25)30)19-11-13-21(14-12-19)28(2,3)4/h6-14,20,29H,5,15-17H2,1-4H3/t20-/m1/s1