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

Systemtic Name: 3-[4-[(3-methoxycyclohexyl)methyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate Openeye Name: 3-[4-[(3-methoxycyclohexyl)methyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid 3-[4-[(3-methoxycyclohexyl)methyl]-1-piperazinyl]propyl ester IUPAC Name: 3-[4-[(3-methoxycyclohexyl)methyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid 3-[4-[(3-methoxycyclohexyl)methyl]piperazino]propyl ester Formula: C29H38N2O4 MolecularWeight: 478.62302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CCCC(C1)CN2CCN(CC2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

COC1CCCC(C1)CN2CCN(CC2)CCCOC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C29H38N2O4/c1-33-23-9-6-8-22(20-23)21-31-17-15-30(16-18-31)14-7-19-34-29(32)28-24-10-2-4-12-26(24)35-27-13-5-3-11-25(27)28/h2-5,10-13,22-23,28H,6-9,14-21H2,1H3