methyl 1-(4-tert-butylphenyl)carbonylindole-3-carboxylate

Systemtic Name: methyl 1-(4-tert-butylphenyl)carbonylindole-3-carboxylate Openeye Name: methyl 1-(4-tert-butylbenzoyl)indole-3-carboxylate CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-tert-butylbenzoyl)indole-3-carboxylate Traditional Name: 1-(4-tert-butylbenzoyl)indole-3-carboxylic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H21NO3/c1-21(2,3)15-11-9-14(10-12-15)19(23)22-13-17(20(24)25-4)16-7-5-6-8-18(16)22/h5-13H,1-4H3