4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-cyclohexa-2,5-dien-1-yl]-N,N-diethyl-3-methyl-aniline

Systemtic Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-cyclohexa-2,5-dien-1-yl]-N,N-diethyl-3-methyl-aniline Openeye Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-cyclohexa-2,5-dien-1-yl]-N,N-diethyl-3-methyl-aniline CAS Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1-cyclohexa-2,5-dienyl]-N,N-diethyl-3-methylaniline IUPAC Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylcyclohexa-2,5-dien-1-yl]-N,N-diethyl-3-methylaniline Traditional Name: diethyl-[3-methyl-4-(2-methyl-3-piperonyl-cyclohexa-2,5-dien-1-yl)phenyl]amine Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2C=CCC(=C2C)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2C=CCC(=C2C)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C26H31NO2/c1-5-27(6-2)22-11-12-23(18(3)14-22)24-9-7-8-21(19(24)4)15-20-10-13-25-26(16-20)29-17-28-25/h7,9-14,16,24H,5-6,8,15,17H2,1-4H3