6-[5-[2-(3-ethoxyphenyl)ethylamino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 6-[5-[2-(3-ethoxyphenyl)ethylamino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Openeye Name: 6-[5-[2-(3-ethoxyphenyl)ethylamino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride CAS Name: 6-[5-[2-(3-ethoxyphenyl)ethylamino]-1-oxopentyl]-4H-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 6-[5-[2-(3-ethoxyphenyl)ethylamino]pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Traditional Name: 6-[5-(2-m-phenetylethylamino)pentanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Formula: C23H29ClN2O4 MolecularWeight: 432.94036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CCNCCCCC(=O)C2=CC3=C(C=C2)OCC(=O)N3.Cl

Isomeric SMILES

CCOC1=CC=CC(=C1)CCNCCCCC(=O)C2=CC3=C(C=C2)OCC(=O)N3.Cl

InChI

InChI=1S/C23H28N2O4.ClH/c1-2-28-19-7-5-6-17(14-19)11-13-24-12-4-3-8-21(26)18-9-10-22-20(15-18)25-23(27)16-29-22;/h5-7,9-10,14-15,24H,2-4,8,11-13,16H2,1H3,(H,25,27);1H