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

Systemtic Name: 5-(4-methoxy-3-pyrrolidin-1-yl-phenyl)-3-[(3-nitro-4-phenylmethoxy-phenyl)methyl]oxan-2-one Openeye Name: 3-[(4-benzyloxy-3-nitro-phenyl)methyl]-5-(4-methoxy-3-pyrrolidin-1-yl-phenyl)tetrahydropyran-2-one CAS Name: 5-[4-methoxy-3-(1-pyrrolidinyl)phenyl]-3-[(3-nitro-4-phenylmethoxyphenyl)methyl]-2-oxanone IUPAC Name: 5-(4-methoxy-3-pyrrolidin-1-ylphenyl)-3-[(3-nitro-4-phenylmethoxyphenyl)methyl]oxan-2-one Traditional Name: 3-(4-benzoxy-3-nitro-benzyl)-5-(4-methoxy-3-pyrrolidino-phenyl)tetrahydropyran-2-one Formula: C30H32N2O6 MolecularWeight: 516.58488

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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)OCC4=CC=CC=C4)[N+](=O)[O-])N5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])N5CCCC5

InChI

InChI=1S/C30H32N2O6/c1-36-28-12-10-23(18-26(28)31-13-5-6-14-31)25-17-24(30(33)38-20-25)15-22-9-11-29(27(16-22)32(34)35)37-19-21-7-3-2-4-8-21/h2-4,7-12,16,18,24-25H,5-6,13-15,17,19-20H2,1H3