[4-(6-methoxynaphthalen-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-cyclohexyl] 4-methoxybenzoate

Systemtic Name: [4-(6-methoxynaphthalen-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-cyclohexyl] 4-methoxybenzoate Openeye Name: [4-hydroxy-4-(6-methoxy-2-naphthyl)-3-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-hydroxy-4-(6-methoxy-2-naphthalenyl)-3-[(4-methyl-1-piperazinyl)methyl]cyclohexyl] ester IUPAC Name: [4-hydroxy-4-(6-methoxynaphthalen-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-hydroxy-4-(6-methoxy-2-naphthyl)-3-[(4-methylpiperazino)methyl]cyclohexyl] ester Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2CC(CCC2(C3=CC4=C(C=C3)C=C(C=C4)OC)O)OC(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1CCN(CC1)CC2CC(CCC2(C3=CC4=C(C=C3)C=C(C=C4)OC)O)OC(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H38N2O5/c1-32-14-16-33(17-15-32)21-26-20-29(38-30(34)22-5-9-27(36-2)10-6-22)12-13-31(26,35)25-8-4-24-19-28(37-3)11-7-23(24)18-25/h4-11,18-19,26,29,35H,12-17,20-21H2,1-3H3