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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC2=C1C(=O)C[C@@H](C2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO3/c1-18-25-23(29-26(18)27(31)32-15-14-19-8-6-5-7-9-19)16-21(17-24(25)30)20-10-12-22(13-11-20)28(2,3)4/h5-13,21,29H,14-17H2,1-4H3/t21-/m1/s1