6-acetyloxy-1-[(3-ethoxyphenyl)methyl]-7-methoxy-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-acetyloxy-1-[(3-ethoxyphenyl)methyl]-7-methoxy-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-acetoxy-1-[(3-ethoxyphenyl)methyl]-7-methoxy-1H-isoquinoline-2-carboxylic acid CAS Name: 6-acetyloxy-1-[(3-ethoxyphenyl)methyl]-7-methoxy-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-acetyloxy-1-[(3-ethoxyphenyl)methyl]-7-methoxy-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-acetoxy-1-(3-ethoxybenzyl)-7-methoxy-1H-isoquinoline-2-carboxylic acid Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C=CN2C(=O)O)OC(=O)C)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C=CN2C(=O)O)OC(=O)C)OC

InChI

InChI=1S/C22H23NO6/c1-4-28-17-7-5-6-15(10-17)11-19-18-13-20(27-3)21(29-14(2)24)12-16(18)8-9-23(19)22(25)26/h5-10,12-13,19H,4,11H2,1-3H3,(H,25,26)