(5S)-3-[(5-azanyl-2-methoxy-phenyl)methyl]-5-(3-cyclopentyloxy-4-methoxy-phenyl)oxan-2-one

Systemtic Name: (5S)-3-[(5-azanyl-2-methoxy-phenyl)methyl]-5-(3-cyclopentyloxy-4-methoxy-phenyl)oxan-2-one Openeye Name: (5S)-3-[(5-amino-2-methoxy-phenyl)methyl]-5-[3-(cyclopentoxy)-4-methoxy-phenyl]tetrahydropyran-2-one CAS Name: (5S)-3-[(5-amino-2-methoxyphenyl)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxanone IUPAC Name: (5S)-3-[(5-amino-2-methoxyphenyl)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)oxan-2-one Traditional Name: (5S)-3-(5-amino-2-methoxy-benzyl)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]tetrahydropyran-2-one Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)CC2CC(COC2=O)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)N)CC2C[C@H](COC2=O)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C25H31NO5/c1-28-22-10-8-20(26)13-17(22)11-18-12-19(15-30-25(18)27)16-7-9-23(29-2)24(14-16)31-21-5-3-4-6-21/h7-10,13-14,18-19,21H,3-6,11-12,15,26H2,1-2H3/t18?,19-/m1/s1