[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(2-ethylbenzimidazol-1-yl)ethanoate

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(2-ethylbenzimidazol-1-yl)ethanoate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(2-ethylbenzimidazol-1-yl)acetate CAS Name: 2-(2-ethyl-1-benzimidazolyl)acetic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-ethylbenzimidazol-1-yl)acetic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C24H27N3O5/c1-4-22-25-18-7-5-6-8-19(18)27(22)14-24(29)32-15-23(28)26-10-9-16-11-20(30-2)21(31-3)12-17(16)13-26/h5-8,11-12H,4,9-10,13-15H2,1-3H3