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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)N)CCCCOC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@@H](C)N)CCCCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-15(22)17-10-11-20-19(14-17)23(21(24)16(2)26-20)12-6-7-13-25-18-8-4-3-5-9-18/h3-5,8-11,14-16H,6-7,12-13,22H2,1-2H3/t15-,16+/m1/s1