[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)N4C=CC=C4

InChI

InChI=1S/C23H22N2O3/c1-17-8-9-19(14-21(17)24-11-4-5-12-24)23(27)28-16-22(26)25-13-10-18-6-2-3-7-20(18)15-25/h2-9,11-12,14H,10,13,15-16H2,1H3