methyl 2-(3,5-dimethylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(3,5-dimethylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(3,5-dimethylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[(3,5-dimethylphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,5-dimethylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(3,5-dimethylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)OC)C

InChI

InChI=1S/C20H21NO3/c1-13-8-14(2)10-17(9-13)19(22)21-12-16-7-5-4-6-15(16)11-18(21)20(23)24-3/h4-10,18H,11-12H2,1-3H3