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

Systemtic Name: 2-[[3-(aminomethyl)phenyl]carbonyl-(2,3-dihydro-1H-inden-5-yl)amino]ethanoic acid; 2,3-dihydro-1H-indene-5-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[[3-(aminomethyl)benzoyl]-indan-5-yl-amino]acetic acid; indane-5-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 2-[[[3-(aminomethyl)phenyl]-oxomethyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid; 2,3-dihydro-1H-indene-5-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[[3-(aminomethyl)benzoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid; 2,3-dihydro-1H-indene-5-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 2-[[3-(aminomethyl)benzoyl]-indan-5-yl-amino]acetic acid; indane-5-carboxamide; 2,2,2-trifluoroacetic acid Formula: C31H32F3N3O6 MolecularWeight: 599.59749

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)N.C1CC2=C(C1)C=C(C=C2)N(CC(=O)O)C(=O)C3=CC(=CC=C3)CN.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)N.C1CC2=C(C1)C=C(C=C2)N(CC(=O)O)C(=O)C3=CC(=CC=C3)CN.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H20N2O3.C10H11NO.C2HF3O2/c20-11-13-3-1-6-16(9-13)19(24)21(12-18(22)23)17-8-7-14-4-2-5-15(14)10-17;11-10(12)9-5-4-7-2-1-3-8(7)6-9;3-2(4,5)1(6)7/h1,3,6-10H,2,4-5,11-12,20H2,(H,22,23);4-6H,1-3H2,(H2,11,12);(H,6,7)