3-[[4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propanoic acid

Systemtic Name: 3-[[4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propanoic acid Openeye Name: 3-[[4-(cyclohexylamino)-9,10-dioxo-1-anthryl]amino]propanoic acid CAS Name: 3-[[4-(cyclohexylamino)-9,10-dioxo-1-anthracenyl]amino]propanoic acid IUPAC Name: 3-[[4-(cyclohexylamino)-9,10-dioxoanthracen-1-yl]amino]propanoic acid Traditional Name: 3-[[4-(cyclohexylamino)-9,10-diketo-1-anthryl]amino]propionic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C3C(=C(C=C2)NCCC(=O)O)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCC(CC1)NC2=C3C(=C(C=C2)NCCC(=O)O)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H24N2O4/c26-19(27)12-13-24-17-10-11-18(25-14-6-2-1-3-7-14)21-20(17)22(28)15-8-4-5-9-16(15)23(21)29/h4-5,8-11,14,24-25H,1-3,6-7,12-13H2,(H,26,27)