6-[(1S)-1-azanylethyl]-2,2-dimethyl-4-(3-phenylpropyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanylethyl]-2,2-dimethyl-4-(3-phenylpropyl)-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminoethyl]-2,2-dimethyl-4-(3-phenylpropyl)-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminoethyl]-2,2-dimethyl-4-(3-phenylpropyl)-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminoethyl]-2,2-dimethyl-4-(3-phenylpropyl)-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminoethyl]-2,2-dimethyl-4-(3-phenylpropyl)-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)OC(C(=O)N2CCCC3=CC=CC=C3)(C)C)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CCCC3=CC=CC=C3)(C)C)N

InChI

InChI=1S/C21H26N2O2/c1-15(22)17-11-12-19-18(14-17)23(20(24)21(2,3)25-19)13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15H,7,10,13,22H2,1-3H3/t15-/m0/s1