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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)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/C31H32ClNO3/c1-21(2)24-9-14-27-28(30(31(34)36-29(27)20-24)23-7-10-25(32)11-8-23)19-22-5-12-26(13-6-22)35-18-17-33-15-3-4-16-33/h5-14,20-21H,3-4,15-19H2,1-2H3