6-[(1S)-1-azanylethyl]-4-[(4-tert-butylphenyl)methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanylethyl]-4-[(4-tert-butylphenyl)methyl]-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminoethyl]-4-[(4-tert-butylphenyl)methyl]-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminoethyl]-4-[(4-tert-butylphenyl)methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminoethyl]-4-[(4-tert-butylphenyl)methyl]-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminoethyl]-4-(4-tert-butylbenzyl)-1,4-benzoxazin-3-one Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(C)(C)C)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(C)(C)C)N

InChI

InChI=1S/C21H26N2O2/c1-14(22)16-7-10-19-18(11-16)23(20(24)13-25-19)12-15-5-8-17(9-6-15)21(2,3)4/h5-11,14H,12-13,22H2,1-4H3/t14-/m0/s1