2-[1,3-benzodioxol-5-ylmethyl-[(1S)-1-phenylethyl]amino]ethanoic acid

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-[(1S)-1-phenylethyl]amino]ethanoic acid Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[(1S)-1-phenylethyl]amino]acetic acid CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[(1S)-1-phenylethyl]amino]acetic acid IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-[(1S)-1-phenylethyl]amino]acetic acid Traditional Name: 2-[[(1S)-1-phenylethyl]-piperonyl-amino]acetic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)O

InChI

InChI=1S/C18H19NO4/c1-13(15-5-3-2-4-6-15)19(11-18(20)21)10-14-7-8-16-17(9-14)23-12-22-16/h2-9,13H,10-12H2,1H3,(H,20,21)/t13-/m0/s1