ethanedioic acid; 4-phenylbutyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

Systemtic Name: ethanedioic acid; 4-phenylbutyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate Openeye Name: oxalic acid; 4-phenylbutyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate CAS Name: 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid 4-phenylbutyl ester; oxalic acid IUPAC Name: oxalic acid; 4-phenylbutyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate Traditional Name: 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid 4-phenylbutyl ester; oxalic acid Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(=C(C1)C(=O)OCCCCC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCC(=C(C1)C(=O)OCCCCC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H29NO2.C2H2O4/c1-2-25-17-16-22(21-14-7-4-8-15-21)23(19-25)24(26)27-18-10-9-13-20-11-5-3-6-12-20;3-1(4)2(5)6/h3-8,11-12,14-15H,2,9-10,13,16-19H2,1H3;(H,3,4)(H,5,6)