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

Systemtic Name: (5S)-5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[(2-nitrophenyl)methyl]oxan-2-one Openeye Name: (5S)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[(2-nitrophenyl)methyl]tetrahydropyran-2-one CAS Name: (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2-nitrophenyl)methyl]-2-oxanone IUPAC Name: (5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(2-nitrophenyl)methyl]oxan-2-one Traditional Name: (5S)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(2-nitrobenzyl)tetrahydropyran-2-one Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC=CC=C3[N+](=O)[O-])OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2CC(C(=O)OC2)CC3=CC=CC=C3[N+](=O)[O-])OC4CCCC4

InChI

InChI=1S/C24H27NO6/c1-29-22-11-10-16(14-23(22)31-20-7-3-4-8-20)19-13-18(24(26)30-15-19)12-17-6-2-5-9-21(17)25(27)28/h2,5-6,9-11,14,18-20H,3-4,7-8,12-13,15H2,1H3/t18?,19-/m1/s1