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

Systemtic Name: (2S)-4-[3-(4-tert-butylphenyl)propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[3-(4-tert-butylphenyl)propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[3-(4-tert-butylphenyl)-1-oxopropyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[3-(4-tert-butylphenyl)propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[3-(4-tert-butylphenyl)propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-23(2,3)17-12-9-16(10-13-17)11-14-21(26)25-15-20(22(27)24-4)28-19-8-6-5-7-18(19)25/h5-10,12-13,20H,11,14-15H2,1-4H3,(H,24,27)/t20-/m0/s1