ethyl 4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C23H28N2O3/c1-5-25-16(3)20(22(17(25)4)23(27)28-6-2)11-12-21(26)24-14-13-18-9-7-8-10-19(18)15-24/h7-12H,5-6,13-15H2,1-4H3/b12-11+