ethyl 4-methanoyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-6-phenylmethoxy-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 4-methanoyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-6-phenylmethoxy-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 6-benzyloxy-4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylate CAS Name: 4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-6-phenylmethoxy-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-6-phenylmethoxy-1H-isoquinoline-2-carboxylate Traditional Name: 6-benzoxy-4-formyl-1-m-anisyl-7-methoxy-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C29H29NO6 MolecularWeight: 487.54366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C2=CC(=C(C=C2C1CC3=CC(=CC=C3)OC)OC)OCC4=CC=CC=C4)C=O

Isomeric SMILES

CCOC(=O)N1C=C(C2=CC(=C(C=C2C1CC3=CC(=CC=C3)OC)OC)OCC4=CC=CC=C4)C=O

InChI

InChI=1S/C29H29NO6/c1-4-35-29(32)30-17-22(18-31)24-15-28(36-19-20-9-6-5-7-10-20)27(34-3)16-25(24)26(30)14-21-11-8-12-23(13-21)33-2/h5-13,15-18,26H,4,14,19H2,1-3H3