(phenylmethyl) (3R,4R)-3-ethenyl-4-[(E)-3-(6-methoxyquinolin-4-yl)prop-2-enyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (3R,4R)-3-ethenyl-4-[(E)-3-(6-methoxyquinolin-4-yl)prop-2-enyl]piperidine-1-carboxylate Openeye Name: benzyl (3R,4R)-4-[(E)-3-(6-methoxy-4-quinolyl)allyl]-3-vinyl-piperidine-1-carboxylate CAS Name: (3R,4R)-3-ethenyl-4-[(E)-3-(6-methoxy-4-quinolinyl)prop-2-enyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R,4R)-3-ethenyl-4-[(E)-3-(6-methoxyquinolin-4-yl)prop-2-enyl]piperidine-1-carboxylate Traditional Name: (3R,4R)-4-[(E)-3-(6-methoxy-4-quinolyl)allyl]-3-vinyl-piperidine-1-carboxylic acid benzyl ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C=CCC3CCN(CC3C=C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)/C=C/C[C@@H]3CCN(C[C@@H]3C=C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3/c1-3-22-19-30(28(31)33-20-21-8-5-4-6-9-21)17-15-23(22)10-7-11-24-14-16-29-27-13-12-25(32-2)18-26(24)27/h3-9,11-14,16,18,22-23H,1,10,15,17,19-20H2,2H3/b11-7+/t22-,23+/m0/s1