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

Systemtic Name: 7-tert-butyl-3-(4-chlorophenyl)-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 7-tert-butyl-3-(4-chlorophenyl)-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one CAS Name: 7-tert-butyl-3-(4-chlorophenyl)-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-tert-butyl-3-(4-chlorophenyl)-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 7-tert-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:

CC(C)(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

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