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

Systemtic Name: (5S)-5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[(2-methoxy-5-nitro-phenyl)methyl]oxan-2-one Openeye Name: (5S)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[(2-methoxy-5-nitro-phenyl)methyl]tetrahydropyran-2-one CAS Name: (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2-methoxy-5-nitrophenyl)methyl]-2-oxanone IUPAC Name: (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2-methoxy-5-nitrophenyl)methyl]oxan-2-one Traditional Name: (5S)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(2-methoxy-5-nitro-benzyl)tetrahydropyran-2-one Formula: C25H29NO7 MolecularWeight: 455.50026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CC2CC(COC2=O)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO7/c1-30-22-10-8-20(26(28)29)13-17(22)11-18-12-19(15-32-25(18)27)16-7-9-23(31-2)24(14-16)33-21-5-3-4-6-21/h7-10,13-14,18-19,21H,3-6,11-12,15H2,1-2H3/t18?,19-/m1/s1