N-[(1S)-2-(3-ethoxypropylamino)-2-oxidanylidene-1-phenyl-ethyl]-1,3-benzodioxole-4-carboxamide

Systemtic Name: N-[(1S)-2-(3-ethoxypropylamino)-2-oxidanylidene-1-phenyl-ethyl]-1,3-benzodioxole-4-carboxamide Openeye Name: N-[(1S)-2-(3-ethoxypropylamino)-2-oxo-1-phenyl-ethyl]-1,3-benzodioxole-4-carboxamide CAS Name: N-[(1S)-2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-1,3-benzodioxole-4-carboxamide IUPAC Name: N-[(1S)-2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-1,3-benzodioxole-4-carboxamide Traditional Name: N-[(1S)-2-(3-ethoxypropylamino)-2-keto-1-phenyl-ethyl]-1,3-benzodioxole-4-carboxamide Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(C1=CC=CC=C1)NC(=O)C2=C3C(=CC=C2)OCO3

Isomeric SMILES

CCOCCCNC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2=C3C(=CC=C2)OCO3

InChI

InChI=1S/C21H24N2O5/c1-2-26-13-7-12-22-21(25)18(15-8-4-3-5-9-15)23-20(24)16-10-6-11-17-19(16)28-14-27-17/h3-6,8-11,18H,2,7,12-14H2,1H3,(H,22,25)(H,23,24)/t18-/m0/s1