methyl 3-[4-[2-(1,6-dimethyl-4-oxidanylidene-1-phenyl-2H-quinazolin-1-ium-3-yl)ethoxy]phenyl]-2-ethoxy-propanoate

Systemtic Name: methyl 3-[4-[2-(1,6-dimethyl-4-oxidanylidene-1-phenyl-2H-quinazolin-1-ium-3-yl)ethoxy]phenyl]-2-ethoxy-propanoate Openeye Name: methyl 3-[4-[2-(1,6-dimethyl-4-oxo-1-phenyl-2H-quinazolin-1-ium-3-yl)ethoxy]phenyl]-2-ethoxy-propanoate CAS Name: 3-[4-[2-(1,6-dimethyl-4-oxo-1-phenyl-2H-quinazolin-1-ium-3-yl)ethoxy]phenyl]-2-ethoxypropanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(1,6-dimethyl-4-oxo-1-phenyl-2H-quinazolin-1-ium-3-yl)ethoxy]phenyl]-2-ethoxypropanoate Traditional Name: 2-ethoxy-3-[4-[2-(4-keto-1,6-dimethyl-1-phenyl-2H-quinazolin-1-ium-3-yl)ethoxy]phenyl]propionic acid methyl ester Formula: C30H35N2O5+ MolecularWeight: 503.6093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C[N+](C3=C(C2=O)C=C(C=C3)C)(C)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C[N+](C3=C(C2=O)C=C(C=C3)C)(C)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C30H35N2O5/c1-5-36-28(30(34)35-4)20-23-12-14-25(15-13-23)37-18-17-31-21-32(3,24-9-7-6-8-10-24)27-16-11-22(2)19-26(27)29(31)33/h6-16,19,28H,5,17-18,20-21H2,1-4H3/q+1