(3R)-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine

Systemtic Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine Openeye Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-isopropoxyphenyl)-6-methyl-heptan-1-amine CAS Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-(4-propan-2-yloxyphenyl)-1-heptanamine IUPAC Name: (3R)-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-(4-propan-2-yloxyphenyl)heptan-1-amine Traditional Name: [(3R)-3-(4-isopropoxyphenyl)-6-methyl-heptyl]-piperonyl-amine Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCNCC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC(C)CC[C@H](CCNCC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C25H35NO3/c1-18(2)5-7-22(21-8-10-23(11-9-21)29-19(3)4)13-14-26-16-20-6-12-24-25(15-20)28-17-27-24/h6,8-12,15,18-19,22,26H,5,7,13-14,16-17H2,1-4H3/t22-/m1/s1