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

Systemtic Name: (2R)-6-[(1S)-1-azanylethyl]-2-ethyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one Openeye Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-(p-tolylmethyl)-1,4-benzoxazin-3-one CAS Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one Traditional Name: (2R)-6-[(1S)-1-aminoethyl]-2-ethyl-4-(4-methylbenzyl)-1,4-benzoxazin-3-one Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)N)CC3=CC=C(C=C3)C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)N)CC3=CC=C(C=C3)C

InChI

InChI=1S/C20H24N2O2/c1-4-18-20(23)22(12-15-7-5-13(2)6-8-15)17-11-16(14(3)21)9-10-19(17)24-18/h5-11,14,18H,4,12,21H2,1-3H3/t14-,18+/m0/s1