3-[(3-azanyl-4-oxidanyl-phenyl)methyl]-5-[4-methoxy-3-(phenylmethyl)phenyl]oxan-2-one

Systemtic Name: 3-[(3-azanyl-4-oxidanyl-phenyl)methyl]-5-[4-methoxy-3-(phenylmethyl)phenyl]oxan-2-one Openeye Name: 3-[(3-amino-4-hydroxy-phenyl)methyl]-5-(3-benzyl-4-methoxy-phenyl)tetrahydropyran-2-one CAS Name: 3-[(3-amino-4-hydroxyphenyl)methyl]-5-[4-methoxy-3-(phenylmethyl)phenyl]-2-oxanone IUPAC Name: 3-[(3-amino-4-hydroxyphenyl)methyl]-5-(3-benzyl-4-methoxyphenyl)oxan-2-one Traditional Name: 3-(3-amino-4-hydroxy-benzyl)-5-(3-benzyl-4-methoxy-phenyl)tetrahydropyran-2-one Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)O)N)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)O)N)CC4=CC=CC=C4

InChI

InChI=1S/C26H27NO4/c1-30-25-10-8-19(14-20(25)11-17-5-3-2-4-6-17)22-15-21(26(29)31-16-22)12-18-7-9-24(28)23(27)13-18/h2-10,13-14,21-22,28H,11-12,15-16,27H2,1H3