[4,7,7-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-3-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4,7,7-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-3-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate Openeye Name: [1,7,7-trimethyl-3-[(4-methylpiperazin-1-yl)methyl]norbornan-2-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4,7,7-trimethyl-2-[(4-methyl-1-piperazinyl)methyl]-3-bicyclo[2.2.1]heptanyl] ester IUPAC Name: [4,7,7-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-3-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [1,7,7-trimethyl-3-[(4-methylpiperazino)methyl]norbornan-2-yl] ester Formula: C26H40N2O5 MolecularWeight: 460.6062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2CN3CCN(CC3)C)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C)C

Isomeric SMILES

CC1(C2CCC1(C(C2CN3CCN(CC3)C)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C)C

InChI

InChI=1S/C26H40N2O5/c1-25(2)19-8-9-26(25,3)23(18(19)16-28-12-10-27(4)11-13-28)33-24(29)17-14-20(30-5)22(32-7)21(15-17)31-6/h14-15,18-19,23H,8-13,16H2,1-7H3