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

Systemtic Name: 7-butan-2-yl-3-(4-chlorophenyl)-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 3-(4-chlorophenyl)-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-7-sec-butyl-chromen-2-one CAS Name: 7-butan-2-yl-3-(4-chlorophenyl)-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-butan-2-yl-3-(4-chlorophenyl)-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-4-[4-(2-pyrrolidinoethoxy)benzyl]-7-sec-butyl-coumarin Formula: C32H34ClNO3 MolecularWeight: 516.07026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H34ClNO3/c1-3-22(2)25-10-15-28-29(31(32(35)37-30(28)21-25)24-8-11-26(33)12-9-24)20-23-6-13-27(14-7-23)36-19-18-34-16-4-5-17-34/h6-15,21-22H,3-5,16-20H2,1-2H3