ethyl 4-(1,3-benzodioxol-5-yl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-3-(benzyloxycarbonylamino)-2-hydroxy-butanoate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(benzyloxycarbonylamino)-2-hydroxy-butyric acid ethyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC1=CC2=C(C=C1)OCO2)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C(C(CC1=CC2=C(C=C1)OCO2)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H23NO7/c1-2-26-20(24)19(23)16(10-15-8-9-17-18(11-15)29-13-28-17)22-21(25)27-12-14-6-4-3-5-7-14/h3-9,11,16,19,23H,2,10,12-13H2,1H3,(H,22,25)