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

Systemtic Name: (phenylmethyl) 1-[4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-isocyano-piperidin-1-yl]cyclopropane-1-carboxylate Openeye Name: benzyl 1-[4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-isocyano-1-piperidyl]cyclopropanecarboxylate CAS Name: 1-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-isocyano-1-piperidinyl]-1-cyclopropanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4-isocyanopiperidin-1-yl]cyclopropane-1-carboxylate Traditional Name: 1-[4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4-isocyano-piperidino]cyclopropanecarboxylic acid benzyl ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)[N+]#[C-])OCC5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCN(CC2)C3(CC3)C(=O)OCC4=CC=CC=C4)[N+]#[C-])OCC5CC5

InChI

InChI=1S/C28H32N2O4/c1-29-27(23-10-11-24(32-2)25(18-23)33-19-22-8-9-22)14-16-30(17-15-27)28(12-13-28)26(31)34-20-21-6-4-3-5-7-21/h3-7,10-11,18,22H,8-9,12-17,19-20H2,2H3