ethanedioic acid; N-methyl-N-(phenylmethyl)penta-2,3-dien-1-amine

Systemtic Name: ethanedioic acid; N-methyl-N-(phenylmethyl)penta-2,3-dien-1-amine Openeye Name: N-benzyl-N-methyl-penta-2,3-dien-1-amine; oxalic acid CAS Name: N-methyl-N-(phenylmethyl)-1-penta-2,3-dienamine; oxalic acid IUPAC Name: N-benzyl-N-methylpenta-2,3-dien-1-amine; oxalic acid Traditional Name: benzyl-methyl-penta-2,3-dienyl-amine; oxalic acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CC=C=CCN(C)CC1=CC=CC=C1.C(=O)(C(=O)O)O

Isomeric SMILES

CC=C=CCN(C)CC1=CC=CC=C1.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H17N.C2H2O4/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13;3-1(4)2(5)6/h3,5-10H,11-12H2,1-2H3;(H,3,4)(H,5,6)