[(3aS)-6-methyl-4-oxidanylidene-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-3a-yl] benzoate

Systemtic Name: [(3aS)-6-methyl-4-oxidanylidene-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-3a-yl] benzoate Openeye Name: [(3aS)-6-methyl-4-oxo-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-3a-yl] benzoate CAS Name: benzoic acid [(3aS)-6-methyl-4-oxo-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-3a-yl] ester IUPAC Name: [(3aS)-6-methyl-4-oxo-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-3a-yl] benzoate Traditional Name: benzoic acid [(3aS)-4-keto-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-3a-yl] ester Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C3C(C2=O)(CCN3C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C3[C@](C2=O)(CCN3C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H20N2O3/c1-17-12-13-21-20(16-17)22(28)25(30-23(29)18-8-4-2-5-9-18)14-15-27(24(25)26-21)19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3/t25-/m1/s1