N-[(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-4-methoxy-aniline

Systemtic Name: N-[(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-4-methoxy-aniline Openeye Name: N-[(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-4-methoxy-aniline CAS Name: N-[(3S)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-4-methoxyaniline IUPAC Name: N-[(3S)-3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-4-methoxyaniline Traditional Name: [(3S)-3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(4-methoxyphenyl)amine Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCNC1=CC=C(C=C1)OC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC[C@@H](CCNC1=CC=C(C=C1)OC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H29NO3/c1-16(2)4-5-17(18-6-11-21-22(14-18)26-15-25-21)12-13-23-19-7-9-20(24-3)10-8-19/h6-11,14,16-17,23H,4-5,12-13,15H2,1-3H3/t17-/m0/s1