dodecyl 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate; ethanedioic acid

Systemtic Name: dodecyl 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate; ethanedioic acid Openeye Name: dodecyl 4-amino-1-benzyl-piperidine-4-carboxylate; oxalic acid CAS Name: 4-amino-1-(phenylmethyl)-4-piperidinecarboxylic acid dodecyl ester; oxalic acid IUPAC Name: dodecyl 4-amino-1-benzylpiperidine-4-carboxylate; oxalic acid Traditional Name: 4-amino-1-benzyl-isonipecotic acid lauryl ester; oxalic acid Formula: C27H44N2O6 MolecularWeight: 492.64806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H42N2O2.C2H2O4/c1-2-3-4-5-6-7-8-9-10-14-21-29-24(28)25(26)17-19-27(20-18-25)22-23-15-12-11-13-16-23;3-1(4)2(5)6/h11-13,15-16H,2-10,14,17-22,26H2,1H3;(H,3,4)(H,5,6)