3-(1-ethoxycarbonyl-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)benzoic acid

Systemtic Name: 3-(1-ethoxycarbonyl-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)benzoic acid Openeye Name: 3-(1-ethoxycarbonyl-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)benzoic acid CAS Name: 3-(1-ethoxycarbonyl-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)benzoic acid IUPAC Name: 3-(1-ethoxycarbonyl-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)benzoic acid Traditional Name: 3-(1-carbethoxy-8,9-dimethoxy-3-methyl-5,6-dihydropyrrol[2,1-a]isoquinolin-2-yl)benzoic acid Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C3=CC(=C(C=C3CCN2C(=C1C4=CC(=CC=C4)C(=O)O)C)OC)OC

Isomeric SMILES

CCOC(=O)C1=C2C3=CC(=C(C=C3CCN2C(=C1C4=CC(=CC=C4)C(=O)O)C)OC)OC

InChI

InChI=1S/C25H25NO6/c1-5-32-25(29)22-21(16-7-6-8-17(11-16)24(27)28)14(2)26-10-9-15-12-19(30-3)20(31-4)13-18(15)23(22)26/h6-8,11-13H,5,9-10H2,1-4H3,(H,27,28)