[2-(cyclooctylamino)-2-oxidanylidene-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] anthracene-9-carboxylate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C25H27NO3/c27-23(26-20-12-4-2-1-3-5-13-20)17-29-25(28)24-21-14-8-6-10-18(21)16-19-11-7-9-15-22(19)24/h6-11,14-16,20H,1-5,12-13,17H2,(H,26,27)