3-[4-[3-(azocan-1-yl)propyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate

Systemtic Name: 3-[4-[3-(azocan-1-yl)propyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate Openeye Name: 3-[4-[3-(azocan-1-yl)propyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid 3-[4-[3-(1-azocanyl)propyl]-1-piperazinyl]propyl ester IUPAC Name: 3-[4-[3-(azocan-1-yl)propyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid 3-[4-[3-(azocan-1-yl)propyl]piperazino]propyl ester Formula: C31H43N3O3 MolecularWeight: 505.69142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CCCN2CCN(CC2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CCCN(CCC1)CCCN2CCN(CC2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C31H43N3O3/c35-31(30-26-12-4-6-14-28(26)37-29-15-7-5-13-27(29)30)36-25-11-20-34-23-21-33(22-24-34)19-10-18-32-16-8-2-1-3-9-17-32/h4-7,12-15,30H,1-3,8-11,16-25H2