3-[7-(5-azanylpentyl)-1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-[7-(5-azanylpentyl)-1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[7-(5-aminopentyl)-1-(4-methoxyphenyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-[7-(5-aminopentyl)-1-(4-methoxyphenyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[7-(5-aminopentyl)-1-(4-methoxyphenyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 3-[7-(5-aminopentyl)-2,5-diketo-1-(4-methoxyphenyl)-3H-1,4-benzodiazepin-4-yl]propionic acid; 2,2,2-trifluoroacetic acid Formula: C26H30F3N3O7 MolecularWeight: 553.52751

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CN(C(=O)C3=C2C=CC(=C3)CCCCCN)CCC(=O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)CN(C(=O)C3=C2C=CC(=C3)CCCCCN)CCC(=O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H29N3O5.C2HF3O2/c1-32-19-9-7-18(8-10-19)27-21-11-6-17(5-3-2-4-13-25)15-20(21)24(31)26(16-22(27)28)14-12-23(29)30;3-2(4,5)1(6)7/h6-11,15H,2-5,12-14,16,25H2,1H3,(H,29,30);(H,6,7)