methyl 1-oxidanylidene-2-(3-oxidanylpropyl)-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-(3-oxidanylpropyl)-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 7-benzyloxy-2-(3-hydroxypropyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(3-hydroxypropyl)-1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-hydroxypropyl)-1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 7-benzoxy-2-(3-hydroxypropyl)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C30H31NO8 MolecularWeight: 533.56904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=C4)CCCO)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=C4)CCCO)C(=O)OC

InChI

InChI=1S/C30H31NO8/c1-35-24-15-20(16-25(36-2)28(24)37-3)26-22-12-11-21(39-18-19-9-6-5-7-10-19)17-23(22)29(33)31(13-8-14-32)27(26)30(34)38-4/h5-7,9-12,15-17,32H,8,13-14,18H2,1-4H3