(2R)-4-[2-(1,3-benzodioxol-5-yl)ethylamino]-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: (2R)-4-[2-(1,3-benzodioxol-5-yl)ethylamino]-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: (2R)-4-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-benzyl-4-oxo-butanoate CAS Name: (2R)-4-[2-(1,3-benzodioxol-5-yl)ethylamino]-4-oxo-2-(phenylmethyl)butanoate IUPAC Name: (2R)-4-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-benzyl-4-oxobutanoate Traditional Name: (2R)-2-benzyl-4-(homopiperonylamino)-4-keto-butyrate Formula: C20H20NO5- MolecularWeight: 354.3765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c22-19(12-16(20(23)24)10-14-4-2-1-3-5-14)21-9-8-15-6-7-17-18(11-15)26-13-25-17/h1-7,11,16H,8-10,12-13H2,(H,21,22)(H,23,24)/p-1/t16-/m1/s1