1-[(E)-4-[7-[(E)-4-piperidin-1-ylbut-1-enyl]-9H-xanthen-2-yl]but-3-enyl]piperidine

Systemtic Name: 1-[(E)-4-[7-[(E)-4-piperidin-1-ylbut-1-enyl]-9H-xanthen-2-yl]but-3-enyl]piperidine Openeye Name: 1-[(E)-4-[7-[(E)-4-(1-piperidyl)but-1-enyl]-9H-xanthen-2-yl]but-3-enyl]piperidine CAS Name: 1-[(E)-4-[7-[(E)-4-(1-piperidinyl)but-1-enyl]-9H-xanthen-2-yl]but-3-enyl]piperidine IUPAC Name: 1-[(E)-4-[7-[(E)-4-piperidin-1-ylbut-1-enyl]-9H-xanthen-2-yl]but-3-enyl]piperidine Traditional Name: 1-[(E)-4-[7-[(E)-4-piperidinobut-1-enyl]-9H-xanthen-2-yl]but-3-enyl]piperidine Formula: C31H40N2O MolecularWeight: 456.6621

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC=CC2=CC3=C(C=C2)OC4=C(C3)C=C(C=C4)C=CCCN5CCCCC5

Isomeric SMILES

C1CCN(CC1)CC/C=C/C2=CC3=C(OC4=C(C3)C=C(C=C4)/C=C/CCN5CCCCC5)C=C2

InChI

InChI=1S/C31H40N2O/c1-5-17-32(18-6-1)21-9-3-11-26-13-15-30-28(23-26)25-29-24-27(14-16-31(29)34-30)12-4-10-22-33-19-7-2-8-20-33/h3-4,11-16,23-24H,1-2,5-10,17-22,25H2/b11-3+,12-4+