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

Systemtic Name: (3-methoxycarbonylphenyl)methyl 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3-methoxycarbonylphenyl)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-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)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 (3-carbomethoxybenzyl) ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

InChI

InChI=1S/C21H18N2O5/c1-27-20(25)14-5-2-4-13(10-14)12-28-21(26)15-7-8-16-17(11-15)22-18-6-3-9-23(18)19(16)24/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3