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

Systemtic Name: (2R)-6-[(1S)-1-azanylpropyl]-2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one Openeye Name: (2R)-6-[(1S)-1-aminopropyl]-2-ethyl-4-(o-tolylmethyl)-1,4-benzoxazin-3-one CAS Name: (2R)-6-[(1S)-1-aminopropyl]-2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-[(1S)-1-aminopropyl]-2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one Traditional Name: (2R)-6-[(1S)-1-aminopropyl]-2-ethyl-4-(2-methylbenzyl)-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(CC)N)CC3=CC=CC=C3C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](CC)N)CC3=CC=CC=C3C

InChI

InChI=1S/C21H26N2O2/c1-4-17(22)15-10-11-20-18(12-15)23(21(24)19(5-2)25-20)13-16-9-7-6-8-14(16)3/h6-12,17,19H,4-5,13,22H2,1-3H3/t17-,19+/m0/s1