(phenylmethyl) 1-[4-isocyano-4-[4-methoxy-3-(methoxymethoxy)phenyl]piperidin-1-yl]cyclopropane-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[4-isocyano-4-[4-methoxy-3-(methoxymethoxy)phenyl]piperidin-1-yl]cyclopropane-1-carboxylate Openeye Name: benzyl 1-[4-isocyano-4-[4-methoxy-3-(methoxymethoxy)phenyl]-1-piperidyl]cyclopropanecarboxylate CAS Name: 1-[4-isocyano-4-[4-methoxy-3-(methoxymethoxy)phenyl]-1-piperidinyl]-1-cyclopropanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[4-isocyano-4-[4-methoxy-3-(methoxymethoxy)phenyl]piperidin-1-yl]cyclopropane-1-carboxylate Traditional Name: 1-[4-isocyano-4-[4-methoxy-3-(methoxymethoxy)phenyl]piperidino]cyclopropanecarboxylic acid benzyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C(C=CC(=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)[N+]#[C-])OC

Isomeric SMILES

COCOC1=C(C=CC(=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)[N+]#[C-])OC

InChI

InChI=1S/C26H30N2O5/c1-27-25(21-9-10-22(31-3)23(17-21)33-19-30-2)13-15-28(16-14-25)26(11-12-26)24(29)32-18-20-7-5-4-6-8-20/h4-10,17H,11-16,18-19H2,2-3H3