ethanedioic acid; methyl 2-[(4-chlorophenyl)methylamino]-3-phenyl-propanoate

Systemtic Name: ethanedioic acid; methyl 2-[(4-chlorophenyl)methylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(4-chlorophenyl)methylamino]-3-phenyl-propanoate; oxalic acid CAS Name: 2-[(4-chlorophenyl)methylamino]-3-phenylpropanoic acid methyl ester; oxalic acid IUPAC Name: methyl 2-[(4-chlorophenyl)methylamino]-3-phenylpropanoate; oxalic acid Traditional Name: 2-[(4-chlorobenzyl)amino]-3-phenyl-propionic acid methyl ester; oxalic acid Formula: C19H20ClNO6 MolecularWeight: 393.8182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NCC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NCC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18ClNO2.C2H2O4/c1-21-17(20)16(11-13-5-3-2-4-6-13)19-12-14-7-9-15(18)10-8-14;3-1(4)2(5)6/h2-10,16,19H,11-12H2,1H3;(H,3,4)(H,5,6)