N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC3=C(C(=C2)OC)OCCO3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C)NC(=O)C2=CC3=C(C(=C2)OC)OCCO3)OCC

InChI

InChI=1S/C22H27NO6/c1-5-26-17-8-7-15(11-18(17)27-6-2)14(3)23-22(24)16-12-19(25-4)21-20(13-16)28-9-10-29-21/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,23,24)/t14-/m0/s1