2-(2,4-diphenyl-3H-1,5-benzodiazepin-3-yl)-3-ethoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(2,4-diphenyl-3H-1,5-benzodiazepin-3-yl)-3-ethoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-(2,4-diphenyl-3H-1,5-benzodiazepin-3-yl)-3-ethoxy-3-oxo-propanoic acid CAS Name: 2-(2,4-diphenyl-3H-1,5-benzodiazepin-3-yl)-3-ethoxy-3-oxopropanoic acid IUPAC Name: 2-(2,4-diphenyl-3H-1,5-benzodiazepin-3-yl)-3-ethoxy-3-oxopropanoic acid Traditional Name: 2-(2,4-diphenyl-3H-1,5-benzodiazepin-3-yl)-3-ethoxy-3-keto-propionic acid Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C(=NC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCOC(=O)C(C1C(=NC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H22N2O4/c1-2-32-26(31)22(25(29)30)21-23(17-11-5-3-6-12-17)27-19-15-9-10-16-20(19)28-24(21)18-13-7-4-8-14-18/h3-16,21-22H,2H2,1H3,(H,29,30)