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

Systemtic Name: 2-[5-(aminomethyl)-2-oxidanyl-phenyl]carbonyl-4-(4-aminophenyl)butanoic acid Openeye Name: 2-[5-(aminomethyl)-2-hydroxy-benzoyl]-4-(4-aminophenyl)butanoic acid CAS Name: 2-[[5-(aminomethyl)-2-hydroxyphenyl]-oxomethyl]-4-(4-aminophenyl)butanoic acid IUPAC Name: 2-[5-(aminomethyl)-2-hydroxybenzoyl]-4-(4-aminophenyl)butanoic acid Traditional Name: 2-[5-(aminomethyl)-2-hydroxy-benzoyl]-4-(4-aminophenyl)butyric acid Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(=O)C2=C(C=CC(=C2)CN)O)C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1CCC(C(=O)C2=C(C=CC(=C2)CN)O)C(=O)O)N

InChI

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