3-(4-chlorophenyl)-2-[(cyclopropylamino)methyl]prop-2-enoic acid

Systemtic Name: 3-(4-chlorophenyl)-2-[(cyclopropylamino)methyl]prop-2-enoic acid Openeye Name: 3-(4-chlorophenyl)-2-[(cyclopropylamino)methyl]prop-2-enoic acid CAS Name: 3-(4-chlorophenyl)-2-[(cyclopropylamino)methyl]-2-propenoic acid IUPAC Name: 3-(4-chlorophenyl)-2-[(cyclopropylamino)methyl]prop-2-enoic acid Traditional Name: 3-(4-chlorophenyl)-2-[(cyclopropylamino)methyl]acrylic acid Formula: C13H14ClNO2 MolecularWeight: 251.70876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCC(=CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CC1NCC(=CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H14ClNO2/c14-11-3-1-9(2-4-11)7-10(13(16)17)8-15-12-5-6-12/h1-4,7,12,15H,5-6,8H2,(H,16,17)