N-(1,3-benzodioxol-5-ylmethyl)-4-(2,2-dimethyloxan-4-yl)-4-(4-methylphenyl)butan-1-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,2-dimethyloxan-4-yl)-4-(4-methylphenyl)butan-1-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,2-dimethyltetrahydropyran-4-yl)-4-(p-tolyl)butan-1-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,2-dimethyl-4-oxanyl)-4-(4-methylphenyl)-1-butanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,2-dimethyloxan-4-yl)-4-(4-methylphenyl)butan-1-amine Traditional Name: [4-(2,2-dimethyltetrahydropyran-4-yl)-4-(p-tolyl)butyl]-piperonyl-amine Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCCNCC2=CC3=C(C=C2)OCO3)C4CCOC(C4)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CCCNCC2=CC3=C(C=C2)OCO3)C4CCOC(C4)(C)C

InChI

InChI=1S/C26H35NO3/c1-19-6-9-21(10-7-19)23(22-12-14-30-26(2,3)16-22)5-4-13-27-17-20-8-11-24-25(15-20)29-18-28-24/h6-11,15,22-23,27H,4-5,12-14,16-18H2,1-3H3