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

Systemtic Name: (4-methylphenyl)methyl (6S)-6-(4-ethylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: p-tolylmethyl (6S)-6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6S)-6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (6S)-6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6S)-6-(4-ethylphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid (4-methylbenzyl) ester Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OCC4=CC=C(C=C4)C)C)C(=O)C2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2CC3=C(C(=C(N3)C(=O)OCC4=CC=C(C=C4)C)C)C(=O)C2

InChI

InChI=1S/C26H27NO3/c1-4-18-9-11-20(12-10-18)21-13-22-24(23(28)14-21)17(3)25(27-22)26(29)30-15-19-7-5-16(2)6-8-19/h5-12,21,27H,4,13-15H2,1-3H3/t21-/m0/s1