methyl 2-butyl-6-[(4-methoxyphenyl)carbonyloxymethyl]-1H-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-butyl-6-[(4-methoxyphenyl)carbonyloxymethyl]-1H-isoquinoline-4-carboxylate Openeye Name: methyl 2-butyl-6-[(4-methoxybenzoyl)oxymethyl]-1H-isoquinoline-4-carboxylate CAS Name: 2-butyl-6-[[(4-methoxyphenyl)-oxomethoxy]methyl]-1H-isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-6-[(4-methoxybenzoyl)oxymethyl]-1H-isoquinoline-4-carboxylate Traditional Name: 2-butyl-6-(p-anisoyloxymethyl)-1H-isoquinoline-4-carboxylic acid methyl ester Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=C(C=C(C=C2)COC(=O)C3=CC=C(C=C3)OC)C(=C1)C(=O)OC

Isomeric SMILES

CCCCN1CC2=C(C=C(C=C2)COC(=O)C3=CC=C(C=C3)OC)C(=C1)C(=O)OC

InChI

InChI=1S/C24H27NO5/c1-4-5-12-25-14-19-7-6-17(13-21(19)22(15-25)24(27)29-3)16-30-23(26)18-8-10-20(28-2)11-9-18/h6-11,13,15H,4-5,12,14,16H2,1-3H3