[(E)-4-[4-(imidazol-1-ylmethyl)phenyl]-1-pentoxy-but-3-en-2-yl] pyridine-3-carboxylate

Systemtic Name: [(E)-4-[4-(imidazol-1-ylmethyl)phenyl]-1-pentoxy-but-3-en-2-yl] pyridine-3-carboxylate Openeye Name: [(E)-3-[4-(imidazol-1-ylmethyl)phenyl]-1-(pentoxymethyl)allyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(E)-4-[4-(1-imidazolylmethyl)phenyl]-1-pentoxybut-3-en-2-yl] ester IUPAC Name: [(E)-4-[4-(imidazol-1-ylmethyl)phenyl]-1-pentoxybut-3-en-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(E)-1-(amoxymethyl)-3-[4-(imidazol-1-ylmethyl)phenyl]allyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC(C=CC1=CC=C(C=C1)CN2C=CN=C2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCOCC(/C=C/C1=CC=C(C=C1)CN2C=CN=C2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C25H29N3O3/c1-2-3-4-16-30-19-24(31-25(29)23-6-5-13-26-17-23)12-11-21-7-9-22(10-8-21)18-28-15-14-27-20-28/h5-15,17,20,24H,2-4,16,18-19H2,1H3/b12-11+