7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]-4-phenylmethoxy-chromen-2-one

Systemtic Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]-4-phenylmethoxy-chromen-2-one Openeye Name: 4-benzyloxy-7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxy-propoxy]chromen-2-one CAS Name: 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-hydroxypropoxy]-4-phenylmethoxy-1-benzopyran-2-one IUPAC Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]-4-phenylmethoxychromen-2-one Traditional Name: 4-benzoxy-7-[3-[4-(4-chlorobenzyl)piperazino]-2-hydroxy-propoxy]coumarin Formula: C30H31ClN2O5 MolecularWeight: 535.03054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)CC(COC3=CC4=C(C=C3)C(=CC(=O)O4)OCC5=CC=CC=C5)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)CC(COC3=CC4=C(C=C3)C(=CC(=O)O4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C30H31ClN2O5/c31-24-8-6-22(7-9-24)18-32-12-14-33(15-13-32)19-25(34)21-36-26-10-11-27-28(17-30(35)38-29(27)16-26)37-20-23-4-2-1-3-5-23/h1-11,16-17,25,34H,12-15,18-21H2