ethanedioic acid; ethyl 1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(E)-2-methyl-3-phenyl-allyl]piperidine-3-carboxylate; oxalic acid CAS Name: 1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-3-carboxylate; oxalic acid Traditional Name: 1-[(E)-2-methyl-3-phenyl-allyl]nipecotic acid ethyl ester; oxalic acid Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=CC2=CC=CC=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C/C(=C/C2=CC=CC=C2)/C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25NO2.C2H2O4/c1-3-21-18(20)17-10-7-11-19(14-17)13-15(2)12-16-8-5-4-6-9-16;3-1(4)2(5)6/h4-6,8-9,12,17H,3,7,10-11,13-14H2,1-2H3;(H,3,4)(H,5,6)/b15-12+;