methyl 2-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-[2-(4-chlorophenoxy)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-[2-(4-chlorophenoxy)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCC2=C(C=CC=C2C1)C(=O)OC)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCC2=C(C=CC=C2C1)C(=O)OC)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO4/c1-21(2,27-16-9-7-15(22)8-10-16)20(25)23-12-11-17-14(13-23)5-4-6-18(17)19(24)26-3/h4-10H,11-13H2,1-3H3