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

Systemtic Name: ethanedioic acid; 5-phenylpentyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate Openeye Name: oxalic acid; 5-phenylpentyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate CAS Name: 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylic acid 5-phenylpentyl ester; oxalic acid IUPAC Name: oxalic acid; 5-phenylpentyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate Traditional Name: 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylic acid 5-phenylpentyl ester; oxalic acid Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC=C(C(C1)C(=O)OCCCCCC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CC=C(C(C1)C(=O)OCCCCCC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H31NO2.C2H2O4/c1-2-26-18-17-23(22-15-9-4-10-16-22)24(20-26)25(27)28-19-11-5-8-14-21-12-6-3-7-13-21;3-1(4)2(5)6/h3-4,6-7,9-10,12-13,15-17,24H,2,5,8,11,14,18-20H2,1H3;(H,3,4)(H,5,6)