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

Systemtic Name: (2S)-N-methyl-4-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[2-(isopentylamino)-2-oxo-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-N-methyl-4-[2-(3-methylbutylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-N-methyl-4-[2-(3-methylbutylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[2-(isoamylamino)-2-keto-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CN1CC(OC2=CC=CC=C21)C(=O)NC

Isomeric SMILES

CC(C)CCNC(=O)CN1C[C@H](OC2=CC=CC=C21)C(=O)NC

InChI

InChI=1S/C17H25N3O3/c1-12(2)8-9-19-16(21)11-20-10-15(17(22)18-3)23-14-7-5-4-6-13(14)20/h4-7,12,15H,8-11H2,1-3H3,(H,18,22)(H,19,21)/t15-/m0/s1