prop-2-enyl 2-methoxy-8-methylidene-6-oxidanyl-11-oxidanylidene-3-phenylmethoxy-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

Systemtic Name: prop-2-enyl 2-methoxy-8-methylidene-6-oxidanyl-11-oxidanylidene-3-phenylmethoxy-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate Openeye Name: allyl 3-benzyloxy-6-hydroxy-2-methoxy-8-methylene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate CAS Name: 6-hydroxy-2-methoxy-8-methylene-11-oxo-3-phenylmethoxy-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-hydroxy-2-methoxy-8-methylidene-11-oxo-3-phenylmethoxy-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate Traditional Name: 3-benzoxy-6-hydroxy-11-keto-2-methoxy-8-methylene-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid allyl ester Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N3CC(=C)CC3C(N2C(=O)OCC=C)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3CC(=C)CC3C(N2C(=O)OCC=C)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O6/c1-4-10-32-25(30)27-19-13-22(33-15-17-8-6-5-7-9-17)21(31-3)12-18(19)23(28)26-14-16(2)11-20(26)24(27)29/h4-9,12-13,20,24,29H,1-2,10-11,14-15H2,3H3