(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C27H27ClN2O5 MolecularWeight: 494.96668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)Cl)CC

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)Cl)CC

InChI

InChI=1S/C27H27ClN2O5/c1-3-5-12-30-23-9-7-6-8-21(23)29-22(27(30)33)10-11-25(31)34-16-18-14-26(32)35-24-13-17(4-2)20(28)15-19(18)24/h6-9,13-15H,3-5,10-12,16H2,1-2H3