3-[(3-azanyl-4-oxidanyl-phenyl)methyl]-5-(4-methoxy-3-pyrrolidin-1-yl-phenyl)oxan-2-one

Systemtic Name: 3-[(3-azanyl-4-oxidanyl-phenyl)methyl]-5-(4-methoxy-3-pyrrolidin-1-yl-phenyl)oxan-2-one Openeye Name: 3-[(3-amino-4-hydroxy-phenyl)methyl]-5-(4-methoxy-3-pyrrolidin-1-yl-phenyl)tetrahydropyran-2-one CAS Name: 3-[(3-amino-4-hydroxyphenyl)methyl]-5-[4-methoxy-3-(1-pyrrolidinyl)phenyl]-2-oxanone IUPAC Name: 3-[(3-amino-4-hydroxyphenyl)methyl]-5-(4-methoxy-3-pyrrolidin-1-ylphenyl)oxan-2-one Traditional Name: 3-(3-amino-4-hydroxy-benzyl)-5-(4-methoxy-3-pyrrolidino-phenyl)tetrahydropyran-2-one Formula: C23H28N2O4 MolecularWeight: 396.47942

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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)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)O)N)N4CCCC4

InChI

InChI=1S/C23H28N2O4/c1-28-22-7-5-16(13-20(22)25-8-2-3-9-25)18-12-17(23(27)29-14-18)10-15-4-6-21(26)19(24)11-15/h4-7,11,13,17-18,26H,2-3,8-10,12,14,24H2,1H3