ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxylate Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H25FN2O3 MolecularWeight: 420.476003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C25H25FN2O3/c1-3-31-25(30)22-14-23(19-8-10-21(26)11-9-19)28(17(22)2)16-24(29)27-13-12-18-6-4-5-7-20(18)15-27/h4-11,14H,3,12-13,15-16H2,1-2H3