ethyl 1-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC=CC=C2C1CC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC2=CC=CC=C2C1CC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25NO5/c1-4-28-22(25)23-12-11-15-7-5-6-8-17(15)18(23)14-19(24)16-9-10-20(26-2)21(13-16)27-3/h5-10,13,18H,4,11-12,14H2,1-3H3