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

Systemtic Name: (2R)-6-[(1S)-1-azanylethyl]-2-ethyl-4-(3-phenylpropyl)-1,4-benzoxazin-3-one Openeye Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-(3-phenylpropyl)-1,4-benzoxazin-3-one CAS Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-(3-phenylpropyl)-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-(3-phenylpropyl)-1,4-benzoxazin-3-one Traditional Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-(3-phenylpropyl)-1,4-benzoxazin-3-one Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)N)CCCC3=CC=CC=C3

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)N)CCCC3=CC=CC=C3

InChI

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