[4-[(1S,2S,3aR)-7-chloranyl-3,3-dicyano-1-(phenylcarbonyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinolin-2-yl]phenyl] ethanoate

Systemtic Name: [4-[(1S,2S,3aR)-7-chloranyl-3,3-dicyano-1-(phenylcarbonyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinolin-2-yl]phenyl] ethanoate Openeye Name: [4-[(1S,2S,3aR)-1-benzoyl-7-chloro-3,3-dicyano-2,3a-dihydro-1H-pyrrolo[1,2-a]quinolin-2-yl]phenyl] acetate CAS Name: acetic acid [4-[(1S,2S,3aR)-1-benzoyl-7-chloro-3,3-dicyano-2,3a-dihydro-1H-pyrrolo[1,2-a]quinolin-2-yl]phenyl] ester IUPAC Name: [4-[(1S,2S,3aR)-1-benzoyl-7-chloro-3,3-dicyano-2,3a-dihydro-1H-pyrrolo[1,2-a]quinolin-2-yl]phenyl] acetate Traditional Name: acetic acid [4-[(1S,2S,3aR)-1-benzoyl-7-chloro-3,3-dicyano-2,3a-dihydro-1H-pyrrolo[1,2-a]quinolin-2-yl]phenyl] ester Formula: C29H20ClN3O3 MolecularWeight: 493.9404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=C3C=CC(=C4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)[C@@H]2[C@H](N3[C@@H](C2(C#N)C#N)C=CC4=C3C=CC(=C4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H20ClN3O3/c1-18(34)36-23-11-7-19(8-12-23)26-27(28(35)20-5-3-2-4-6-20)33-24-13-10-22(30)15-21(24)9-14-25(33)29(26,16-31)17-32/h2-15,25-27H,1H3/t25-,26-,27+/m1/s1