(2S)-4-(4-butoxy-3-ethoxy-phenyl)carbonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-(4-butoxy-3-ethoxy-phenyl)carbonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-(4-butoxy-3-ethoxy-benzoyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[(4-butoxy-3-ethoxyphenyl)-oxomethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-(4-butoxy-3-ethoxybenzoyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-(4-butoxy-3-ethoxy-benzoyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CC(OC3=CC=CC=C32)C(=O)NC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)NC)OCC

InChI

InChI=1S/C23H28N2O5/c1-4-6-13-29-19-12-11-16(14-20(19)28-5-2)23(27)25-15-21(22(26)24-3)30-18-10-8-7-9-17(18)25/h7-12,14,21H,4-6,13,15H2,1-3H3,(H,24,26)/t21-/m0/s1