3-[4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-oxidanylidene-butyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-oxidanylidene-butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-oxo-butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-4-oxobutyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]butyl]-1,3-benzoxazol-2-one Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C24H28N2O4/c1-29-19-14-12-18(13-15-19)20-8-3-2-6-16-25(20)23(27)11-7-17-26-21-9-4-5-10-22(21)30-24(26)28/h4-5,9-10,12-15,20H,2-3,6-8,11,16-17H2,1H3/t20-/m1/s1