1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; (2S)-5-oxopyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; (2S)-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; (2S)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: 6,7-dimethoxy-1-veratryl-isoquinoline; (2S)-5-ketoproline Formula: C25H28N2O7 MolecularWeight: 468.49902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.C1CC(=O)NC1C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.C1CC(=O)N[C@@H]1C(=O)O

InChI

InChI=1S/C20H21NO4.C5H7NO3/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;7-4-2-1-3(6-4)5(8)9/h5-8,10-12H,9H2,1-4H3;3H,1-2H2,(H,6,7)(H,8,9)/t;3-/m.0/s1