(2S)-N-[3-(cyclopropylcarbamoyl)phenyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-N-[3-(cyclopropylcarbamoyl)phenyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-acetyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-[3-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C21H21N3O4/c1-13(25)24-12-19(28-18-8-3-2-7-17(18)24)21(27)23-16-6-4-5-14(11-16)20(26)22-15-9-10-15/h2-8,11,15,19H,9-10,12H2,1H3,(H,22,26)(H,23,27)/t19-/m0/s1