butyl 6-butyl-2-[(4-morpholin-4-ylphenyl)-propyl-amino]pyridine-3-carboxylate

Systemtic Name: butyl 6-butyl-2-[(4-morpholin-4-ylphenyl)-propyl-amino]pyridine-3-carboxylate Openeye Name: butyl 6-butyl-2-(4-morpholino-N-propyl-anilino)pyridine-3-carboxylate CAS Name: 6-butyl-2-[4-(4-morpholinyl)-N-propylanilino]-3-pyridinecarboxylic acid butyl ester IUPAC Name: butyl 6-butyl-2-(4-morpholin-4-yl-N-propylanilino)pyridine-3-carboxylate Traditional Name: 6-butyl-2-(4-morpholino-N-propyl-anilino)nicotinic acid butyl ester Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C(=O)OCCCC)N(CCC)C2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C(=O)OCCCC)N(CCC)C2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C27H39N3O3/c1-4-7-9-22-10-15-25(27(31)33-19-8-5-2)26(28-22)30(16-6-3)24-13-11-23(12-14-24)29-17-20-32-21-18-29/h10-15H,4-9,16-21H2,1-3H3