1,4-dihydro-3,1-benzoxazin-2-one; ethyl 3-(4-methylpentanoylamino)-2-oxidanyl-5-phenyl-pentanimidate

Systemtic Name: 1,4-dihydro-3,1-benzoxazin-2-one; ethyl 3-(4-methylpentanoylamino)-2-oxidanyl-5-phenyl-pentanimidate Openeye Name: 1,4-dihydro-3,1-benzoxazin-2-one; ethyl 2-hydroxy-3-(4-methylpentanoylamino)-5-phenyl-pentanimidate CAS Name: 1,4-dihydro-3,1-benzoxazin-2-one; 2-hydroxy-3-[(4-methyl-1-oxopentyl)amino]-5-phenylpentanimidic acid ethyl ester IUPAC Name: 1,4-dihydro-3,1-benzoxazin-2-one; ethyl 2-hydroxy-3-(4-methylpentanoylamino)-5-phenylpentanimidate Traditional Name: 1,4-dihydro-3,1-benzoxazin-2-one; 2-hydroxy-3-(4-methylpentanoylamino)-5-phenyl-valerimidic acid ethyl ester Formula: C27H37N3O5 MolecularWeight: 483.59978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C(C(CCC1=CC=CC=C1)NC(=O)CCC(C)C)O.C1C2=CC=CC=C2NC(=O)O1

Isomeric SMILES

CCOC(=N)C(C(CCC1=CC=CC=C1)NC(=O)CCC(C)C)O.C1C2=CC=CC=C2NC(=O)O1

InChI

InChI=1S/C19H30N2O3.C8H7NO2/c1-4-24-19(20)18(23)16(21-17(22)13-10-14(2)3)12-11-15-8-6-5-7-9-15;10-8-9-7-4-2-1-3-6(7)5-11-8/h5-9,14,16,18,20,23H,4,10-13H2,1-3H3,(H,21,22);1-4H,5H2,(H,9,10)