(2S)-N-methyl-4-[4-oxidanylidene-4-(4-pentylphenyl)butanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-N-methyl-4-[4-oxidanylidene-4-(4-pentylphenyl)butanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-N-methyl-4-[4-oxo-4-(4-pentylphenyl)butanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[1,4-dioxo-4-(4-pentylphenyl)butyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-N-methyl-4-[4-oxo-4-(4-pentylphenyl)butanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[4-(4-amylphenyl)-4-keto-butanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)N2CC(OC3=CC=CC=C32)C(=O)NC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)NC

InChI

InChI=1S/C25H30N2O4/c1-3-4-5-8-18-11-13-19(14-12-18)21(28)15-16-24(29)27-17-23(25(30)26-2)31-22-10-7-6-9-20(22)27/h6-7,9-14,23H,3-5,8,15-17H2,1-2H3,(H,26,30)/t23-/m0/s1