4-[(6S,6aS,9R)-6-(4-fluorophenyl)-9-(3-methoxyphenyl)-7-oxidanylidene-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(6S,6aS,9R)-6-(4-fluorophenyl)-9-(3-methoxyphenyl)-7-oxidanylidene-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6S,6aS,9R)-6-(4-fluorophenyl)-9-(3-methoxyphenyl)-7-oxo-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxo-butanoic acid CAS Name: 4-[(6S,6aS,9R)-6-(4-fluorophenyl)-9-(3-methoxyphenyl)-7-oxo-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid IUPAC Name: 4-[(6S,6aS,9R)-6-(4-fluorophenyl)-9-(3-methoxyphenyl)-7-oxo-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid Traditional Name: 4-[(6S,6aS,9R)-6-(4-fluorophenyl)-7-keto-9-(3-methoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-keto-butyric acid Formula: C30H27FN2O5 MolecularWeight: 514.544183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CC(=O)C3C(N(C4=CC=CC=C4NC3=C2)C(=O)CCC(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H]2CC(=O)[C@H]3[C@H](N(C4=CC=CC=C4NC3=C2)C(=O)CCC(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H27FN2O5/c1-38-22-6-4-5-19(15-22)20-16-24-29(26(34)17-20)30(18-9-11-21(31)12-10-18)33(27(35)13-14-28(36)37)25-8-3-2-7-23(25)32-24/h2-12,15-16,20,29-30,32H,13-14,17H2,1H3,(H,36,37)/t20-,29-,30+/m0/s1