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

Systemtic Name: (phenylmethyl) (3R,4R)-3-ethenyl-4-[(E)-3-(6-methoxyquinolin-4-yl)prop-2-enoyl]piperidine-1-carboxylate Openeye Name: benzyl (3R,4R)-4-[(E)-3-(6-methoxy-4-quinolyl)prop-2-enoyl]-3-vinyl-piperidine-1-carboxylate CAS Name: (3R,4R)-3-ethenyl-4-[(E)-3-(6-methoxy-4-quinolinyl)-1-oxoprop-2-enyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R,4R)-3-ethenyl-4-[(E)-3-(6-methoxyquinolin-4-yl)prop-2-enoyl]piperidine-1-carboxylate Traditional Name: (3R,4R)-4-[(E)-3-(6-methoxy-4-quinolyl)acryloyl]-3-vinyl-piperidine-1-carboxylic acid benzyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C=CC(=O)C3CCN(CC3C=C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O4/c1-3-21-18-30(28(32)34-19-20-7-5-4-6-8-20)16-14-24(21)27(31)12-9-22-13-15-29-26-11-10-23(33-2)17-25(22)26/h3-13,15,17,21,24H,1,14,16,18-19H2,2H3/b12-9+/t21-,24+/m0/s1