[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-methoxyphenyl)-2-propenoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-methoxy-phenyl)acrylic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)O[C@H](C)C2=NC(=O)C3=CC=CC=C3N2)OC

InChI

InChI=1S/C24H26N2O5/c1-4-5-14-30-20-12-10-17(15-21(20)29-3)11-13-22(27)31-16(2)23-25-19-9-7-6-8-18(19)24(28)26-23/h6-13,15-16H,4-5,14H2,1-3H3,(H,25,26,28)/b13-11+/t16-/m1/s1