N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-3-ethynyl-aniline

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-3-ethynyl-aniline Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-3-ethynyl-aniline CAS Name: N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-3-ethynylaniline IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-3-ethynylaniline Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-(3-ethynylphenyl)amine Formula: C19H19NO2 MolecularWeight: 293.35966

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C19H19NO2/c1-3-15-5-4-6-17(11-15)20-14(2)7-8-16-9-10-18-19(12-16)22-13-21-18/h1,4-6,9-12,14,20H,7-8,13H2,2H3