(2S)-N-methyl-4-[3-[(2-methylphenyl)carbonylamino]propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-N-methyl-4-[3-[(2-methylphenyl)carbonylamino]propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-N-methyl-4-[3-[(2-methylbenzoyl)amino]propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-N-methyl-4-[3-[[(2-methylphenyl)-oxomethyl]amino]-1-oxopropyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-N-methyl-4-[3-[(2-methylbenzoyl)amino]propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-N-methyl-4-[3-(o-toluoylamino)propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)N2CC(OC3=CC=CC=C32)C(=O)NC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)NC

InChI

InChI=1S/C21H23N3O4/c1-14-7-3-4-8-15(14)20(26)23-12-11-19(25)24-13-18(21(27)22-2)28-17-10-6-5-9-16(17)24/h3-10,18H,11-13H2,1-2H3,(H,22,27)(H,23,26)/t18-/m0/s1