(6S)-6-(4-tert-butylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylic acid

Systemtic Name: (6S)-6-(4-tert-butylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylic acid Openeye Name: (6S)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid CAS Name: (6S)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid IUPAC Name: (6S)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid Traditional Name: (6S)-6-(4-tert-butylphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid Formula: C20H23NO3 MolecularWeight: 325.40152

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3/c1-11-17-15(21-18(11)19(23)24)9-13(10-16(17)22)12-5-7-14(8-6-12)20(2,3)4/h5-8,13,21H,9-10H2,1-4H3,(H,23,24)/t13-/m0/s1