3-methylbutyl 2-methyl-4,6-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: 3-methylbutyl 2-methyl-4,6-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: isopentyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid isoamyl ester Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1C2=C(C=C(C=C2)O)C(CN1C)O

Isomeric SMILES

CC(C)CCOC(=O)C1C2=C(C=C(C=C2)O)C(CN1C)O

InChI

InChI=1S/C16H23NO4/c1-10(2)6-7-21-16(20)15-12-5-4-11(18)8-13(12)14(19)9-17(15)3/h4-5,8,10,14-15,18-19H,6-7,9H2,1-3H3