methyl 3-(3-cyano-2-pyrrol-1-yl-4H-pyrano[2,3-f]isoquinolin-4-yl)benzoate

Systemtic Name: methyl 3-(3-cyano-2-pyrrol-1-yl-4H-pyrano[2,3-f]isoquinolin-4-yl)benzoate Openeye Name: methyl 3-(3-cyano-2-pyrrol-1-yl-4H-pyrano[2,3-f]isoquinolin-4-yl)benzoate CAS Name: 3-[3-cyano-2-(1-pyrrolyl)-4H-pyrano[2,3-f]isoquinolin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-cyano-2-pyrrol-1-yl-4H-pyrano[2,3-f]isoquinolin-4-yl)benzoate Traditional Name: 3-(3-cyano-2-pyrrol-1-yl-4H-pyran[2,3-f]isoquinolin-4-yl)benzoic acid methyl ester Formula: C25H17N3O3 MolecularWeight: 407.42078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C2C3=C(C4=C(C=C3)C=NC=C4)OC(=C2C#N)N5C=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C2C3=C(C4=C(C=C3)C=NC=C4)OC(=C2C#N)N5C=CC=C5

InChI

InChI=1S/C25H17N3O3/c1-30-25(29)17-6-4-5-16(13-17)22-20-8-7-18-15-27-10-9-19(18)23(20)31-24(21(22)14-26)28-11-2-3-12-28/h2-13,15,22H,1H3