pentyl N-[(9E)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,6,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]carbamate

Systemtic Name: pentyl N-[(9E)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,6,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]carbamate Openeye Name: pentyl N-[(9E)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,6,12-trihydroxy-8,10,11-trioxo-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]carbamate CAS Name: N-[(9E)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,6,12-trihydroxy-8,10,11-trioxo-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]carbamic acid pentyl ester IUPAC Name: pentyl N-[(9E)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,6,12-trihydroxy-8,10,11-trioxo-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]carbamate Traditional Name: N-[(9E)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,6,12-trihydroxy-8,10,11-triketo-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]carbamic acid amyl ester Formula: C29H38N4O9 MolecularWeight: 586.63342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)NC1=C(C2=C(CC3C(C4C(C(=O)C3=C2O)C(=O)C(=C(N)O)C(=O)C4N(C)C)O)C(=C1)N(C)C)O

Isomeric SMILES

CCCCCOC(=O)NC1=C(C2=C(CC3C(C4C(C(=O)C3=C2O)C(=O)/C(=C(/N)\O)/C(=O)C4N(C)C)O)C(=C1)N(C)C)O

InChI

InChI=1S/C29H38N4O9/c1-6-7-8-9-42-29(41)31-14-11-15(32(2)3)12-10-13-17(24(36)16(12)23(14)35)25(37)19-18(22(13)34)21(33(4)5)27(39)20(26(19)38)28(30)40/h11,13,18-19,21-22,34-36,40H,6-10,30H2,1-5H3,(H,31,41)/b28-20+