5-butyl-3a-methoxy-7a-(1-phenylethyl)-1-(phenylmethyl)-7H-pyrano[3,2-d][1,3]oxazol-2-one

Systemtic Name: 5-butyl-3a-methoxy-7a-(1-phenylethyl)-1-(phenylmethyl)-7H-pyrano[3,2-d][1,3]oxazol-2-one Openeye Name: 1-benzyl-5-butyl-3a-methoxy-7a-(1-phenylethyl)-7H-pyrano[3,2-d]oxazol-2-one CAS Name: 5-butyl-3a-methoxy-7a-(1-phenylethyl)-1-(phenylmethyl)-7H-pyrano[3,2-d]oxazol-2-one IUPAC Name: 1-benzyl-5-butyl-3a-methoxy-7a-(1-phenylethyl)-7H-pyrano[3,2-d][1,3]oxazol-2-one Traditional Name: 1-benzyl-5-butyl-3a-methoxy-7a-(1-phenylethyl)-7H-pyrano[3,2-d]oxazol-2-one Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CCC2(C(O1)(OC(=O)N2CC3=CC=CC=C3)OC)C(C)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CCC2(C(O1)(OC(=O)N2CC3=CC=CC=C3)OC)C(C)C4=CC=CC=C4

InChI

InChI=1S/C26H31NO4/c1-4-5-16-23-17-18-25(20(2)22-14-10-7-11-15-22)26(29-3,30-23)31-24(28)27(25)19-21-12-8-6-9-13-21/h6-15,17,20H,4-5,16,18-19H2,1-3H3