2-[2-acetyloxy-5-(aminomethyl)phenyl]carbonyl-4-(4-aminophenyl)butanoic acid

Systemtic Name: 2-[2-acetyloxy-5-(aminomethyl)phenyl]carbonyl-4-(4-aminophenyl)butanoic acid Openeye Name: 2-[2-acetoxy-5-(aminomethyl)benzoyl]-4-(4-aminophenyl)butanoic acid CAS Name: 2-[[2-acetyloxy-5-(aminomethyl)phenyl]-oxomethyl]-4-(4-aminophenyl)butanoic acid IUPAC Name: 2-[2-acetyloxy-5-(aminomethyl)benzoyl]-4-(4-aminophenyl)butanoic acid Traditional Name: 2-[2-acetoxy-5-(aminomethyl)benzoyl]-4-(4-aminophenyl)butyric acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CN)C(=O)C(CCC2=CC=C(C=C2)N)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)CN)C(=O)C(CCC2=CC=C(C=C2)N)C(=O)O

InChI

InChI=1S/C20H22N2O5/c1-12(23)27-18-9-5-14(11-21)10-17(18)19(24)16(20(25)26)8-4-13-2-6-15(22)7-3-13/h2-3,5-7,9-10,16H,4,8,11,21-22H2,1H3,(H,25,26)