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

Systemtic Name: (2R)-6-[(1S)-1-azanylethyl]-2-ethyl-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one Openeye Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one CAS Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one Traditional Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)N)CCCOC3=CC=CC=C3

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)N)CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-3-19-21(24)23(12-7-13-25-17-8-5-4-6-9-17)18-14-16(15(2)22)10-11-20(18)26-19/h4-6,8-11,14-15,19H,3,7,12-13,22H2,1-2H3/t15-,19+/m0/s1