[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C27H25NO3/c1-27(2,3)20-12-14-21(15-13-20)28-24(29)17-31-26(30)25-22-10-6-4-8-18(22)16-19-9-5-7-11-23(19)25/h4-16H,17H2,1-3H3,(H,28,29)