propan-2-yl (3S)-3-(1,3-benzodioxol-5-yl)-3-(2-bromanyl-6-butyl-pyridin-3-yl)propanoate

Systemtic Name: propan-2-yl (3S)-3-(1,3-benzodioxol-5-yl)-3-(2-bromanyl-6-butyl-pyridin-3-yl)propanoate Openeye Name: isopropyl (3S)-3-(1,3-benzodioxol-5-yl)-3-(2-bromo-6-butyl-3-pyridyl)propanoate CAS Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-(2-bromo-6-butyl-3-pyridinyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(1,3-benzodioxol-5-yl)-3-(2-bromo-6-butylpyridin-3-yl)propanoate Traditional Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-(2-bromo-6-butyl-3-pyridyl)propionic acid isopropyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C(CC(=O)OC(C)C)C2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

CCCCC1=NC(=C(C=C1)[C@@H](CC(=O)OC(C)C)C2=CC3=C(C=C2)OCO3)Br

InChI

InChI=1S/C22H26BrNO4/c1-4-5-6-16-8-9-17(22(23)24-16)18(12-21(25)28-14(2)3)15-7-10-19-20(11-15)27-13-26-19/h7-11,14,18H,4-6,12-13H2,1-3H3/t18-/m0/s1