N-[(2S)-1-(cyclooctylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide

Systemtic Name: N-[(2S)-1-(cyclooctylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide Openeye Name: N-[(1S)-2-(cyclooctylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-[(1S)-2-(cyclooctylamino)-2-keto-1-methylol-ethyl]-9,10-diketo-anthracene-2-carboxamide Formula: C26H28N2O5 MolecularWeight: 448.51092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C(CO)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCC(CCC1)NC(=O)[C@H](CO)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H28N2O5/c29-15-22(26(33)27-17-8-4-2-1-3-5-9-17)28-25(32)16-12-13-20-21(14-16)24(31)19-11-7-6-10-18(19)23(20)30/h6-7,10-14,17,22,29H,1-5,8-9,15H2,(H,27,33)(H,28,32)/t22-/m0/s1