(2S)-4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[(E)-3-(4-ethylphenyl)-1-oxoprop-2-enyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[(E)-3-(4-ethylphenyl)acryloyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)N2CC(OC3=CC=CC=C32)C(=O)NC

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)NC

InChI

InChI=1S/C21H22N2O3/c1-3-15-8-10-16(11-9-15)12-13-20(24)23-14-19(21(25)22-2)26-18-7-5-4-6-17(18)23/h4-13,19H,3,14H2,1-2H3,(H,22,25)/b13-12+/t19-/m0/s1