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

Systemtic Name: [4-(6-methoxynaphthalen-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-cyclohexyl] 4-methylbenzoate Openeye Name: [4-hydroxy-4-(6-methoxy-2-naphthyl)-3-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-hydroxy-4-(6-methoxy-2-naphthyl)-3-[(4-methylpiperazino)methyl]cyclohexyl] ester Formula: C31H38N2O4 MolecularWeight: 502.64442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2CCC(C(C2)CN3CCN(CC3)C)(C4=CC5=C(C=C4)C=C(C=C5)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2CCC(C(C2)CN3CCN(CC3)C)(C4=CC5=C(C=C4)C=C(C=C5)OC)O

InChI

InChI=1S/C31H38N2O4/c1-22-4-6-23(7-5-22)30(34)37-29-12-13-31(35,27(20-29)21-33-16-14-32(2)15-17-33)26-10-8-25-19-28(36-3)11-9-24(25)18-26/h4-11,18-19,27,29,35H,12-17,20-21H2,1-3H3