4-[9-(furan-2-yl)-7-oxidanylidene-6-(3,4,5-trimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[9-(furan-2-yl)-7-oxidanylidene-6-(3,4,5-trimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[9-(2-furyl)-7-oxo-6-(3,4,5-trimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxo-butanoic acid CAS Name: 4-[9-(2-furanyl)-7-oxo-6-(3,4,5-trimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid IUPAC Name: 4-[9-(furan-2-yl)-7-oxo-6-(3,4,5-trimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid Traditional Name: 4-[9-(2-furyl)-7-keto-6-(3,4,5-trimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-keto-butyric acid Formula: C30H30N2O8 MolecularWeight: 546.5678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=C(CC(CC3=O)C4=CC=CO4)NC5=CC=CC=C5N2C(=O)CCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=C(CC(CC3=O)C4=CC=CO4)NC5=CC=CC=C5N2C(=O)CCC(=O)O

InChI

InChI=1S/C30H30N2O8/c1-37-24-15-18(16-25(38-2)30(24)39-3)29-28-20(13-17(14-22(28)33)23-9-6-12-40-23)31-19-7-4-5-8-21(19)32(29)26(34)10-11-27(35)36/h4-9,12,15-17,29,31H,10-11,13-14H2,1-3H3,(H,35,36)