5-phenylmethoxy-8-[2-(propan-2-ylamino)butanoyl]-4H-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 5-phenylmethoxy-8-[2-(propan-2-ylamino)butanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Openeye Name: 5-benzyloxy-8-[2-(isopropylamino)butanoyl]-4H-1,4-benzoxazin-3-one hydrochloride CAS Name: 8-[1-oxo-2-(propan-2-ylamino)butyl]-5-phenylmethoxy-4H-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 5-phenylmethoxy-8-[2-(propan-2-ylamino)butanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Traditional Name: 5-benzoxy-8-[2-(isopropylamino)butanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=C2C(=C(C=C1)OCC3=CC=CC=C3)NC(=O)CO2)NC(C)C.Cl

Isomeric SMILES

CCC(C(=O)C1=C2C(=C(C=C1)OCC3=CC=CC=C3)NC(=O)CO2)NC(C)C.Cl

InChI

InChI=1S/C22H26N2O4.ClH/c1-4-17(23-14(2)3)21(26)16-10-11-18(20-22(16)28-13-19(25)24-20)27-12-15-8-6-5-7-9-15;/h5-11,14,17,23H,4,12-13H2,1-3H3,(H,24,25);1H