6-[3-[4-(diphenylmethyl)piperidin-1-yl]propoxy]-7-methoxy-chromen-2-one

Systemtic Name: 6-[3-[4-(diphenylmethyl)piperidin-1-yl]propoxy]-7-methoxy-chromen-2-one Openeye Name: 6-[3-(4-benzhydryl-1-piperidyl)propoxy]-7-methoxy-chromen-2-one CAS Name: 6-[3-[4-(diphenylmethyl)-1-piperidinyl]propoxy]-7-methoxy-1-benzopyran-2-one IUPAC Name: 6-[3-(4-benzhydrylpiperidin-1-yl)propoxy]-7-methoxychromen-2-one Traditional Name: 6-[3-(4-benzhydrylpiperidino)propoxy]-7-methoxy-coumarin Formula: C31H33NO4 MolecularWeight: 483.59802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CC(=O)OC2=C1)OCCCN3CCC(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C2C=CC(=O)OC2=C1)OCCCN3CCC(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33NO4/c1-34-28-22-27-26(13-14-30(33)36-27)21-29(28)35-20-8-17-32-18-15-25(16-19-32)31(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-14,21-22,25,31H,8,15-20H2,1H3