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

Systemtic Name: 3-(4-chlorophenyl)-7-methyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-methyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-methyl-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-methyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-methyl-4-[4-(2-pyrrolidinoethoxy)benzyl]coumarin Formula: C29H28ClNO3 MolecularWeight: 473.99052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C29H28ClNO3/c1-20-4-13-25-26(28(29(32)34-27(25)18-20)22-7-9-23(30)10-8-22)19-21-5-11-24(12-6-21)33-17-16-31-14-2-3-15-31/h4-13,18H,2-3,14-17,19H2,1H3