[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)CCN2C=NC3=CC=CC=C3C2=O)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)CCN2C=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C22H25N3O4/c1-4-10-25-15(2)12-18(16(25)3)20(26)13-29-21(27)9-11-24-14-23-19-8-6-5-7-17(19)22(24)28/h5-8,12,14H,4,9-11,13H2,1-3H3