3-(4-chlorophenyl)-7-propyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-7-propyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-propyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-propyl-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-propyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-propyl-4-[4-(2-pyrrolidinoethoxy)benzyl]coumarin Formula: C31H32ClNO3 MolecularWeight: 502.04368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CCCC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C31H32ClNO3/c1-2-5-22-8-15-27-28(30(31(34)36-29(27)21-22)24-9-11-25(32)12-10-24)20-23-6-13-26(14-7-23)35-19-18-33-16-3-4-17-33/h6-15,21H,2-5,16-20H2,1H3