ethyl 2-[4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-isocyano-piperidin-1-yl]butanoate

Systemtic Name: ethyl 2-[4-(3-cyclopentyloxy-4-methoxy-phenyl)-4-isocyano-piperidin-1-yl]butanoate Openeye Name: ethyl 2-[4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-isocyano-1-piperidyl]butanoate CAS Name: 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyano-1-piperidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanopiperidin-1-yl]butanoate Traditional Name: 2-[4-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-isocyano-piperidino]butyric acid ethyl ester Formula: C24H34N2O4 MolecularWeight: 414.53776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1CCC(CC1)(C2=CC(=C(C=C2)OC)OC3CCCC3)[N+]#[C-]

Isomeric SMILES

CCC(C(=O)OCC)N1CCC(CC1)(C2=CC(=C(C=C2)OC)OC3CCCC3)[N+]#[C-]

InChI

InChI=1S/C24H34N2O4/c1-5-20(23(27)29-6-2)26-15-13-24(25-3,14-16-26)18-11-12-21(28-4)22(17-18)30-19-9-7-8-10-19/h11-12,17,19-20H,5-10,13-16H2,1-2,4H3