(3,4-dimethoxyphenyl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3,4-dimethoxyphenyl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3,4-dimethoxyphenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (3,4-dimethoxyphenyl)methyl ester IUPAC Name: (3,4-dimethoxyphenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: 9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid veratryl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)OC

InChI

InChI=1S/C21H20N2O5/c1-26-17-8-5-13(10-18(17)27-2)12-28-21(25)14-6-7-15-16(11-14)22-19-4-3-9-23(19)20(15)24/h5-8,10-11H,3-4,9,12H2,1-2H3