benzoic acid; N-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine

Systemtic Name: benzoic acid; N-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine Openeye Name: benzoic acid; N-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine CAS Name: benzoic acid; N-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine IUPAC Name: benzoic acid; N-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine Traditional Name: (Z)-1-azabicyclo[2.2.1]heptan-3-ylidene-[3-(3-methoxyphenyl)prop-2-ynoxy]amine; benzoic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C#CCON=C2CN3CCC2C3.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C#CCO/N=C/2\CN3CCC2C3.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H18N2O2.C7H6O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18;8-7(9)6-4-2-1-3-5-6/h2,4,6,10,14H,7-9,11-12H2,1H3;1-5H,(H,8,9)/b17-16+;