[2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] anthracene-9-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

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