2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-yl-phenol

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-yl-phenol Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-isopropyl-5-methyl-phenol CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-5-methyl-4-propan-2-ylphenol IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol Traditional Name: 4-isopropyl-5-methyl-2-[(4-piperonylpiperazino)methyl]phenol Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C23H30N2O3/c1-16(2)20-12-19(21(26)10-17(20)3)14-25-8-6-24(7-9-25)13-18-4-5-22-23(11-18)28-15-27-22/h4-5,10-12,16,26H,6-9,13-15H2,1-3H3