ethyl (4R)-2-azanyl-4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-6-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate

Systemtic Name: ethyl (4R)-2-azanyl-4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-6-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Openeye Name: ethyl (4R)-2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-6-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate CAS Name: (4R)-2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylate Traditional Name: (4R)-2-amino-4-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-6-phenyl-1,4-dihydropyrimidin-3-ium-5-carboxylic acid ethyl ester Formula: C27H27ClN3O4+ MolecularWeight: 492.97398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=[NH+]C1C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=[NH+][C@@H]1C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC)N)C4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O4/c1-3-34-26(32)23-24(18-7-5-4-6-8-18)30-27(29)31-25(23)19-11-14-21(22(15-19)33-2)35-16-17-9-12-20(28)13-10-17/h4-15,25H,3,16H2,1-2H3,(H3,29,30,31)/p+1/t25-/m1/s1