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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=CC(=O)O4)N5CCNCC5)C)O

Isomeric SMILES

CC1=CC=C(N1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=CC(=O)O4)N5CCNCC5)C)O

InChI

InChI=1S/C28H35N3O8/c1-15-6-8-18(30-15)26(34)38-24-22(33)27(39-28(3,4)25(24)35-5)36-20-9-7-17-19(31-12-10-29-11-13-31)14-21(32)37-23(17)16(20)2/h6-9,14,22,24-25,27,29-30,33H,10-13H2,1-5H3/t22-,24+,25-,27-/m1/s1