3-(4-chlorophenyl)-7-oxidanyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydrochromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-7-oxidanyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydrochromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-2-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-4-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydrochromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-4-[4-(2-pyrrolidinoethoxy)phenyl]chroman-2-one Formula: C27H26ClNO4 MolecularWeight: 463.95264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3C(C(=O)OC4=C3C=CC(=C4)O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3C(C(=O)OC4=C3C=CC(=C4)O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H26ClNO4/c28-20-7-3-19(4-8-20)26-25(23-12-9-21(30)17-24(23)33-27(26)31)18-5-10-22(11-6-18)32-16-15-29-13-1-2-14-29/h3-12,17,25-26,30H,1-2,13-16H2