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

Systemtic Name: 6-cyclopentyloxy-4-methanoyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-(cyclopentoxy)-4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid CAS Name: 6-cyclopentyloxy-4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-cyclopentyloxy-4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-(cyclopentoxy)-4-formyl-1-m-anisyl-7-methoxy-1H-isoquinoline-2-carboxylic acid Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C(=CN2C(=O)O)C=O)OC4CCCC4)OC

Isomeric SMILES

COC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C(=CN2C(=O)O)C=O)OC4CCCC4)OC

InChI

InChI=1S/C25H27NO6/c1-30-19-9-5-6-16(10-19)11-22-21-13-23(31-2)24(32-18-7-3-4-8-18)12-20(21)17(15-27)14-26(22)25(28)29/h5-6,9-10,12-15,18,22H,3-4,7-8,11H2,1-2H3,(H,28,29)