[3-methoxy-2-methyl-6-[8-methyl-4-(4-methylpiperazin-1-yl)-2-oxidanylidene-chromen-7-yl]oxy-5-oxidanyl-oxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: [3-methoxy-2-methyl-6-[8-methyl-4-(4-methylpiperazin-1-yl)-2-oxidanylidene-chromen-7-yl]oxy-5-oxidanyl-oxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate Openeye Name: [5-hydroxy-3-methoxy-2-methyl-6-[8-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-chromen-7-yl]oxy-tetrahydropyran-4-yl] 5-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-methyl-1H-pyrrole-2-carboxylic acid [5-hydroxy-3-methoxy-2-methyl-6-[[8-methyl-4-(4-methyl-1-piperazinyl)-2-oxo-1-benzopyran-7-yl]oxy]-4-oxanyl] ester IUPAC Name: [5-hydroxy-3-methoxy-2-methyl-6-[8-methyl-4-(4-methylpiperazin-1-yl)-2-oxochromen-7-yl]oxyoxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-methyl-1H-pyrrole-2-carboxylic acid [3-hydroxy-2-[2-keto-8-methyl-4-(4-methylpiperazino)chromen-7-yl]oxy-5-methoxy-6-methyl-tetrahydropyran-4-yl] ester Formula: C28H35N3O8 MolecularWeight: 541.5928

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=C(C3=C(C=C2)C(=CC(=O)O3)N4CCN(CC4)C)C)O)OC(=O)C5=CC=C(N5)C)OC

Isomeric SMILES

CC1C(C(C(C(O1)OC2=C(C3=C(C=C2)C(=CC(=O)O3)N4CCN(CC4)C)C)O)OC(=O)C5=CC=C(N5)C)OC

InChI

InChI=1S/C28H35N3O8/c1-15-6-8-19(29-15)27(34)39-26-23(33)28(36-17(3)25(26)35-5)37-21-9-7-18-20(31-12-10-30(4)11-13-31)14-22(32)38-24(18)16(21)2/h6-9,14,17,23,25-26,28-29,33H,10-13H2,1-5H3