methyl 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CN2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H26N2O3/c1-15-12-19(16(2)23(15)11-9-21(25)26-3)20(24)14-22-10-8-17-6-4-5-7-18(17)13-22/h4-7,12H,8-11,13-14H2,1-3H3