1-[2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]pyrrolidine

Systemtic Name: 1-[2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]pyrrolidine Openeye Name: 1-[2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]pyrrolidine CAS Name: 1-[2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)-1-benzopyran-2-yl]pyrrolidine IUPAC Name: 1-[2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]pyrrolidine Traditional Name: 1-[2-(4-methoxyphenyl)-3-methyl-4-(2-phenylethynyl)chromen-2-yl]pyrrolidine Formula: C29H27NO2 MolecularWeight: 421.53018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2OC1(C3=CC=C(C=C3)OC)N4CCCC4)C#CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2OC1(C3=CC=C(C=C3)OC)N4CCCC4)C#CC5=CC=CC=C5

InChI

InChI=1S/C29H27NO2/c1-22-26(19-14-23-10-4-3-5-11-23)27-12-6-7-13-28(27)32-29(22,30-20-8-9-21-30)24-15-17-25(31-2)18-16-24/h3-7,10-13,15-18H,8-9,20-21H2,1-2H3