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

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-(1-benzofuran-2-yl)amino]ethanoic acid; 2,3-dihydro-1H-indene-5-carboxamide; hydrochloride Openeye Name: 2-[[3-(aminomethyl)benzoyl]-(benzofuran-2-yl)amino]acetic acid; indane-5-carboxamide; hydrochloride CAS Name: 2-[[[3-(aminomethyl)phenyl]-oxomethyl]-(2-benzofuranyl)amino]acetic acid; 2,3-dihydro-1H-indene-5-carboxamide; hydrochloride IUPAC Name: 2-[[3-(aminomethyl)benzoyl]-(1-benzofuran-2-yl)amino]acetic acid; 2,3-dihydro-1H-indene-5-carboxamide; hydrochloride Traditional Name: 2-[[3-(aminomethyl)benzoyl]-(benzofuran-2-yl)amino]acetic acid; indane-5-carboxamide; hydrochloride Formula: C28H28ClN3O5 MolecularWeight: 521.99202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)N.C1=CC=C2C(=C1)C=C(O2)N(CC(=O)O)C(=O)C3=CC(=CC=C3)CN.Cl

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)N.C1=CC=C2C(=C1)C=C(O2)N(CC(=O)O)C(=O)C3=CC(=CC=C3)CN.Cl

InChI

InChI=1S/C18H16N2O4.C10H11NO.ClH/c19-10-12-4-3-6-14(8-12)18(23)20(11-17(21)22)16-9-13-5-1-2-7-15(13)24-16;11-10(12)9-5-4-7-2-1-3-8(7)6-9;/h1-9H,10-11,19H2,(H,21,22);4-6H,1-3H2,(H2,11,12);1H