2-[[3-(aminomethyl)phenyl]carbonyl-(1H-imidazol-5-yl)amino]ethanoic acid; 2,3-dihydro-1H-indene-5-carboxamide; dihydrochloride

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-(1H-imidazol-5-yl)amino]ethanoic acid; 2,3-dihydro-1H-indene-5-carboxamide; dihydrochloride Openeye Name: 2-[[3-(aminomethyl)benzoyl]-(1H-imidazol-5-yl)amino]acetic acid; indane-5-carboxamide; dihydrochloride CAS Name: 2-[[[3-(aminomethyl)phenyl]-oxomethyl]-(1H-imidazol-5-yl)amino]acetic acid; 2,3-dihydro-1H-indene-5-carboxamide; dihydrochloride IUPAC Name: 2-[[3-(aminomethyl)benzoyl]-(1H-imidazol-5-yl)amino]acetic acid; 2,3-dihydro-1H-indene-5-carboxamide; dihydrochloride Traditional Name: 2-[[3-(aminomethyl)benzoyl]-(1H-imidazol-5-yl)amino]acetic acid; indane-5-carboxamide; dihydrochloride Formula: C23H27Cl2N5O4 MolecularWeight: 508.39758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)N.C1=CC(=CC(=C1)CN)C(=O)N(CC(=O)O)C2=CN=CN2.Cl.Cl

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)N.C1=CC(=CC(=C1)CN)C(=O)N(CC(=O)O)C2=CN=CN2.Cl.Cl

InChI

InChI=1S/C13H14N4O3.C10H11NO.2ClH/c14-5-9-2-1-3-10(4-9)13(20)17(7-12(18)19)11-6-15-8-16-11;11-10(12)9-5-4-7-2-1-3-8(7)6-9;;/h1-4,6,8H,5,7,14H2,(H,15,16)(H,18,19);4-6H,1-3H2,(H2,11,12);2*1H