3-phenylpropyl 3-cyano-2-(furan-2-ylmethylamino)-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: 3-phenylpropyl 3-cyano-2-(furan-2-ylmethylamino)-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: 3-phenylpropyl 3-cyano-2-(2-furylmethylamino)-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(2-furanylmethylamino)-4-oxo-1-quinolizinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3-cyano-2-(furan-2-ylmethylamino)-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-2-(2-furfurylamino)-4-keto-quinolizine-1-carboxylic acid 3-phenylpropyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)C2=C3C=CC=CN3C(=O)C(=C2NCC4=CC=CO4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)C2=C3C=CC=CN3C(=O)C(=C2NCC4=CC=CO4)C#N

InChI

InChI=1S/C25H21N3O4/c26-16-20-23(27-17-19-11-7-14-31-19)22(21-12-4-5-13-28(21)24(20)29)25(30)32-15-6-10-18-8-2-1-3-9-18/h1-5,7-9,11-14,27H,6,10,15,17H2