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

Systemtic Name: 3-[4-(3-phenylpropyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate Openeye Name: 3-[4-(3-phenylpropyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid 3-[4-(3-phenylpropyl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(3-phenylpropyl)piperazin-1-yl]propyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid 3-[4-(3-phenylpropyl)piperazino]propyl ester Formula: C30H34N2O3 MolecularWeight: 470.60256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C30H34N2O3/c33-30(29-25-13-4-6-15-27(25)35-28-16-7-5-14-26(28)29)34-23-9-18-32-21-19-31(20-22-32)17-8-12-24-10-2-1-3-11-24/h1-7,10-11,13-16,29H,8-9,12,17-23H2