3-(4-chloranylphenoxy)-7-methoxy-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one

Systemtic Name: 3-(4-chloranylphenoxy)-7-methoxy-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one Openeye Name: 3-(4-chlorophenoxy)-7-methoxy-4-[4-[2-(1-piperidyl)ethoxy]phenyl]chromen-2-one CAS Name: 3-(4-chlorophenoxy)-7-methoxy-4-[4-[2-(1-piperidinyl)ethoxy]phenyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenoxy)-7-methoxy-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one Traditional Name: 3-(4-chlorophenoxy)-7-methoxy-4-[4-(2-piperidinoethoxy)phenyl]coumarin Formula: C29H28ClNO5 MolecularWeight: 505.98932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C29H28ClNO5/c1-33-24-13-14-25-26(19-24)36-29(32)28(35-23-11-7-21(30)8-12-23)27(25)20-5-9-22(10-6-20)34-18-17-31-15-3-2-4-16-31/h5-14,19H,2-4,15-18H2,1H3