2-[[5-(2-azanylethylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]butyl ethanoate

Systemtic Name: 2-[[5-(2-azanylethylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]butyl ethanoate Openeye Name: 2-[[5-(2-aminoethylamino)-9,10-dioxo-1-anthryl]amino]butyl acetate CAS Name: acetic acid 2-[[5-(2-aminoethylamino)-9,10-dioxo-1-anthracenyl]amino]butyl ester IUPAC Name: 2-[[5-(2-aminoethylamino)-9,10-dioxoanthracen-1-yl]amino]butyl acetate Traditional Name: acetic acid 2-[[5-(2-aminoethylamino)-9,10-diketo-1-anthryl]amino]butyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C)NC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)NCCN

Isomeric SMILES

CCC(COC(=O)C)NC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)NCCN

InChI

InChI=1S/C22H25N3O4/c1-3-14(12-29-13(2)26)25-18-9-5-7-16-20(18)22(28)15-6-4-8-17(24-11-10-23)19(15)21(16)27/h4-9,14,24-25H,3,10-12,23H2,1-2H3