6-acetyloxy-1-[(3-ethoxyphenyl)methyl]-4-methanoyl-7-methoxy-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-acetyloxy-1-[(3-ethoxyphenyl)methyl]-4-methanoyl-7-methoxy-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-acetoxy-1-[(3-ethoxyphenyl)methyl]-4-formyl-7-methoxy-1H-isoquinoline-2-carboxylic acid CAS Name: 6-acetyloxy-1-[(3-ethoxyphenyl)methyl]-4-formyl-7-methoxy-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-acetyloxy-1-[(3-ethoxyphenyl)methyl]-4-formyl-7-methoxy-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-acetoxy-1-(3-ethoxybenzyl)-4-formyl-7-methoxy-1H-isoquinoline-2-carboxylic acid Formula: C23H23NO7 MolecularWeight: 425.43122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO7/c1-4-30-17-7-5-6-15(8-17)9-20-19-11-21(29-3)22(31-14(2)26)10-18(19)16(13-25)12-24(20)23(27)28/h5-8,10-13,20H,4,9H2,1-3H3,(H,27,28)