dimethyl 4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-isocyano-heptanedioate

Systemtic Name: dimethyl 4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-isocyano-heptanedioate Openeye Name: dimethyl 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-isocyano-heptanedioate CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanoheptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanoheptanedioate Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-isocyano-pimelic acid dimethyl ester Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCC(=O)OC)(CCC(=O)OC)[N+]#[C-])OC2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCC(=O)OC)(CCC(=O)OC)[N+]#[C-])OC2CCCC2

InChI

InChI=1S/C22H29NO6/c1-23-22(13-11-20(24)27-3,14-12-21(25)28-4)16-9-10-18(26-2)19(15-16)29-17-7-5-6-8-17/h9-10,15,17H,5-8,11-14H2,2-4H3