8-(5-phenylmethoxyindol-1-yl)octyl pyridine-3-carboxylate

Systemtic Name: 8-(5-phenylmethoxyindol-1-yl)octyl pyridine-3-carboxylate Openeye Name: 8-(5-benzyloxyindol-1-yl)octyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 8-(5-phenylmethoxy-1-indolyl)octyl ester IUPAC Name: 8-(5-phenylmethoxyindol-1-yl)octyl pyridine-3-carboxylate Traditional Name: nicotinic acid 8-(5-benzoxyindol-1-yl)octyl ester Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3)CCCCCCCCOC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3)CCCCCCCCOC(=O)C4=CN=CC=C4

InChI

InChI=1S/C29H32N2O3/c32-29(26-13-10-17-30-22-26)33-20-9-4-2-1-3-8-18-31-19-16-25-21-27(14-15-28(25)31)34-23-24-11-6-5-7-12-24/h5-7,10-17,19,21-22H,1-4,8-9,18,20,23H2