ethyl 1-(3-bromanyl-4-methoxy-phenyl)carbonyl-3-cyano-2-(4-dimethylaminophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylate

Systemtic Name: ethyl 1-(3-bromanyl-4-methoxy-phenyl)carbonyl-3-cyano-2-(4-dimethylaminophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylate Openeye Name: ethyl 1-(3-bromo-4-methoxy-benzoyl)-3-cyano-2-(4-dimethylaminophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylate CAS Name: 1-[(3-bromo-4-methoxyphenyl)-oxomethyl]-3-cyano-2-(4-dimethylaminophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromo-4-methoxybenzoyl)-3-cyano-2-(4-dimethylaminophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylate Traditional Name: 1-(3-bromo-4-methoxy-benzoyl)-3-cyano-2-(4-dimethylaminophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylic acid ethyl ester Formula: C32H30BrN3O4 MolecularWeight: 600.5023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)N(C)C)C(=O)C5=CC(=C(C=C5)OC)Br)C#N

Isomeric SMILES

CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)N(C)C)C(=O)C5=CC(=C(C=C5)OC)Br)C#N

InChI

InChI=1S/C32H30BrN3O4/c1-5-40-31(38)32(19-34)27-17-13-20-8-6-7-9-25(20)36(27)29(28(32)21-10-14-23(15-11-21)35(2)3)30(37)22-12-16-26(39-4)24(33)18-22/h6-18,27-29H,5H2,1-4H3