[2-methoxy-4-[(E)-(4-oxidanylidene-2-propan-2-yl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [2-methoxy-4-[(E)-(4-oxidanylidene-2-propan-2-yl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] (E)-3-phenylprop-2-enoate Openeye Name: [4-[(E)-(2-isopropyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]-2-methoxy-phenyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [2-methoxy-4-[(E)-(4-oxo-2-propan-2-yl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(4-oxo-2-propan-2-yl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [4-[(E)-(2-isopropyl-4-keto-4aH-quinazolin-3-ium-3-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C28H26N3O4+ MolecularWeight: 468.52374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C(=O)C2C=CC=CC2=N1)N=CC3=CC(=C(C=C3)OC(=O)C=CC4=CC=CC=C4)OC

Isomeric SMILES

CC(C)C1=[N+](C(=O)C2C=CC=CC2=N1)/N=C/C3=CC(=C(C=C3)OC(=O)/C=C/C4=CC=CC=C4)OC

InChI

InChI=1S/C28H26N3O4/c1-19(2)27-30-23-12-8-7-11-22(23)28(33)31(27)29-18-21-13-15-24(25(17-21)34-3)35-26(32)16-14-20-9-5-4-6-10-20/h4-19,22H,1-3H3/q+1/b16-14+,29-18+