(3R)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butanoate

Systemtic Name: (3R)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butanoate Openeye Name: (3R)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butanoate CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-4-phenylbutanoate IUPAC Name: (3R)-3-(1,3-benzodioxol-5-yl)-4-phenylbutanoate Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butyrate Formula: C17H15O4- MolecularWeight: 283.2986

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@H](CC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C17H16O4/c18-17(19)10-14(8-12-4-2-1-3-5-12)13-6-7-15-16(9-13)21-11-20-15/h1-7,9,14H,8,10-11H2,(H,18,19)/p-1/t14-/m1/s1