prop-2-enyl (6S,6aS)-2-methoxy-3-(4-methoxy-4-oxidanylidene-butoxy)-6-(oxan-2-yloxy)-11-oxidanylidene-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

Systemtic Name: prop-2-enyl (6S,6aS)-2-methoxy-3-(4-methoxy-4-oxidanylidene-butoxy)-6-(oxan-2-yloxy)-11-oxidanylidene-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate Openeye Name: allyl (6S,6aS)-2-methoxy-3-(4-methoxy-4-oxo-butoxy)-11-oxo-6-tetrahydropyran-2-yloxy-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate CAS Name: (6S,6aS)-2-methoxy-3-(4-methoxy-4-oxobutoxy)-6-(2-oxanyloxy)-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (6S,6aS)-2-methoxy-3-(4-methoxy-4-oxobutoxy)-6-(oxan-2-yloxy)-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate Traditional Name: (6S,6aS)-11-keto-3-(4-keto-4-methoxy-butoxy)-2-methoxy-6-tetrahydropyran-2-yloxy-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid allyl ester Formula: C27H36N2O9 MolecularWeight: 532.58274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(N2C(=O)OCC=C)OC4CCCCO4)OCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3[C@@H](N2C(=O)OCC=C)OC4CCCCO4)OCCCC(=O)OC

InChI

InChI=1S/C27H36N2O9/c1-4-13-37-27(32)29-20-17-22(35-15-8-10-23(30)34-3)21(33-2)16-18(20)25(31)28-12-7-9-19(28)26(29)38-24-11-5-6-14-36-24/h4,16-17,19,24,26H,1,5-15H2,2-3H3/t19-,24?,26-/m0/s1