3-(1,3-benzodioxol-5-yl)-3-[(phenylmethyl)amino]propanoate

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[(phenylmethyl)amino]propanoate Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(benzylamino)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[(phenylmethyl)amino]propanoate IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-(benzylamino)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(benzylamino)propionate Formula: C17H16NO4- MolecularWeight: 298.31324

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C17H17NO4/c19-17(20)9-14(18-10-12-4-2-1-3-5-12)13-6-7-15-16(8-13)22-11-21-15/h1-8,14,18H,9-11H2,(H,19,20)/p-1