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

Systemtic Name: 3-(4-chlorophenyl)-7-oxidanyl-4-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-4-[[3-[2-(1-piperidyl)ethoxy]phenyl]methyl]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-4-[[3-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-4-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-4-[3-(2-piperidinoethoxy)benzyl]coumarin Formula: C29H28ClNO4 MolecularWeight: 489.98992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=CC(=C2)CC3=C(C(=O)OC4=C3C=CC(=C4)O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=CC(=C2)CC3=C(C(=O)OC4=C3C=CC(=C4)O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H28ClNO4/c30-22-9-7-21(8-10-22)28-26(25-12-11-23(32)19-27(25)35-29(28)33)18-20-5-4-6-24(17-20)34-16-15-31-13-2-1-3-14-31/h4-12,17,19,32H,1-3,13-16,18H2