4-azanyl-2-[3-(5-azanyl-2-carboxylato-phenyl)propyl]benzoate

Systemtic Name: 4-azanyl-2-[3-(5-azanyl-2-carboxylato-phenyl)propyl]benzoate Openeye Name: 4-amino-2-[3-(5-amino-2-carboxylato-phenyl)propyl]benzoate CAS Name: 4-amino-2-[3-(5-amino-2-carboxylatophenyl)propyl]benzoate IUPAC Name: 4-amino-2-[3-(5-amino-2-carboxylatophenyl)propyl]benzoate Traditional Name: 4-amino-2-[3-(5-amino-2-carboxylato-phenyl)propyl]benzoate Formula: C17H16N2O4-2 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)CCCC2=C(C=CC(=C2)N)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N)CCCC2=C(C=CC(=C2)N)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H18N2O4/c18-12-4-6-14(16(20)21)10(8-12)2-1-3-11-9-13(19)5-7-15(11)17(22)23/h4-9H,1-3,18-19H2,(H,20,21)(H,22,23)/p-2