[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 1H-indole-2-carboxylate

Systemtic Name: [2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 1H-indole-2-carboxylate Openeye Name: [2-(2-tert-butylanilino)-2-oxo-ethyl] 1H-indole-2-carboxylate CAS Name: 1H-indole-2-carboxylic acid [2-(2-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-tert-butylanilino)-2-oxoethyl] 1H-indole-2-carboxylate Traditional Name: 1H-indole-2-carboxylic acid [2-(2-tert-butylanilino)-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C21H22N2O3/c1-21(2,3)15-9-5-7-11-17(15)23-19(24)13-26-20(25)18-12-14-8-4-6-10-16(14)22-18/h4-12,22H,13H2,1-3H3,(H,23,24)