prop-2-enyl 2-methoxy-8-(2-methoxy-2-oxidanylidene-ethyl)-6-oxidanyl-11-oxidanylidene-3-phenylmethoxy-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

Systemtic Name: prop-2-enyl 2-methoxy-8-(2-methoxy-2-oxidanylidene-ethyl)-6-oxidanyl-11-oxidanylidene-3-phenylmethoxy-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate Openeye Name: allyl 3-benzyloxy-6-hydroxy-2-methoxy-8-(2-methoxy-2-oxo-ethyl)-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate CAS Name: 6-hydroxy-2-methoxy-8-(2-methoxy-2-oxoethyl)-11-oxo-3-phenylmethoxy-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-hydroxy-2-methoxy-8-(2-methoxy-2-oxoethyl)-11-oxo-3-phenylmethoxy-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate Traditional Name: 3-benzoxy-6-hydroxy-11-keto-8-(2-keto-2-methoxy-ethyl)-2-methoxy-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid allyl ester Formula: C27H28N2O8 MolecularWeight: 508.51982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N3C=C(CC3C(N2C(=O)OCC=C)O)CC(=O)OC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3C=C(CC3C(N2C(=O)OCC=C)O)CC(=O)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O8/c1-4-10-36-27(33)29-20-14-23(37-16-17-8-6-5-7-9-17)22(34-2)13-19(20)25(31)28-15-18(12-24(30)35-3)11-21(28)26(29)32/h4-9,13-15,21,26,32H,1,10-12,16H2,2-3H3