ethanedioic acid; N-[(1-phenylpyrrol-2-yl)methyl]prop-2-en-1-amine

Systemtic Name: ethanedioic acid; N-[(1-phenylpyrrol-2-yl)methyl]prop-2-en-1-amine Openeye Name: oxalic acid; N-[(1-phenylpyrrol-2-yl)methyl]prop-2-en-1-amine CAS Name: oxalic acid; N-[(1-phenyl-2-pyrrolyl)methyl]-2-propen-1-amine IUPAC Name: oxalic acid; N-[(1-phenylpyrrol-2-yl)methyl]prop-2-en-1-amine Traditional Name: allyl-[(1-phenylpyrrol-2-yl)methyl]amine; oxalic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC1=CC=CN1C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCNCC1=CC=CN1C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H16N2.C2H2O4/c1-2-10-15-12-14-9-6-11-16(14)13-7-4-3-5-8-13;3-1(4)2(5)6/h2-9,11,15H,1,10,12H2;(H,3,4)(H,5,6)