methyl 4-[4-(3-ethoxy-2-oxidanyl-phenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-2-yl]benzoate

Systemtic Name: methyl 4-[4-(3-ethoxy-2-oxidanyl-phenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-2-yl]benzoate Openeye Name: methyl 4-[4-(3-ethoxy-2-hydroxy-phenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-2-yl]benzoate CAS Name: 4-[4-(3-ethoxy-2-hydroxyphenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(3-ethoxy-2-hydroxyphenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-2-yl]benzoate Traditional Name: 4-[4-(3-ethoxy-2-hydroxy-phenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-2-yl]benzoic acid methyl ester Formula: C27H29N2O5+ MolecularWeight: 461.52956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H28N2O5/c1-4-34-24-7-5-6-21(25(24)30)23-16-22(17-12-14-20(32-2)15-13-17)28-26(29-23)18-8-10-19(11-9-18)27(31)33-3/h5-16,23,26,28-30H,4H2,1-3H3/p+1