2-[(6-azanylpyridin-3-yl)methyl]-3-phenethyl-butanedioic acid

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-3-phenethyl-butanedioic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-3-phenethyl-butanedioic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-phenethylbutanedioic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-3-phenethylbutanedioic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-phenethyl-succinic acid Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(CC2=CN=C(C=C2)N)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(CC2=CN=C(C=C2)N)C(=O)O)C(=O)O

InChI

InChI=1S/C18H20N2O4/c19-16-9-7-13(11-20-16)10-15(18(23)24)14(17(21)22)8-6-12-4-2-1-3-5-12/h1-5,7,9,11,14-15H,6,8,10H2,(H2,19,20)(H,21,22)(H,23,24)