methyl 4-[[(6aS)-2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoate

Systemtic Name: methyl 4-[[(6aS)-2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoate Openeye Name: methyl 4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoate CAS Name: 4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoic acid methyl ester IUPAC Name: methyl 4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoate Traditional Name: 4-[[(6aS)-11-keto-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butyric acid methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCC(=O)OC

InChI

InChI=1S/C18H22N2O5/c1-23-15-9-13-14(10-16(15)25-8-4-6-17(21)24-2)19-11-12-5-3-7-20(12)18(13)22/h9-12H,3-8H2,1-2H3/t12-/m0/s1