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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CCCCC1=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/c1-2-3-6-23-9-16-28-29(31(32(35)37-30(28)22-23)25-10-12-26(33)13-11-25)21-24-7-14-27(15-8-24)36-20-19-34-17-4-5-18-34/h7-16,22H,2-6,17-21H2,1H3