2-[3-oxidanylidene-1-[4-(3-oxidanylpropoxy)phenyl]carbonyl-2,5-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-1-[4-(3-oxidanylpropoxy)phenyl]carbonyl-2,5-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid Openeye Name: 2-[1-[4-(3-hydroxypropoxy)benzoyl]-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid CAS Name: 2-[1-[[4-(3-hydroxypropoxy)phenyl]-oxomethyl]-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid IUPAC Name: 2-[1-[4-(3-hydroxypropoxy)benzoyl]-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid Traditional Name: 2-[1-[4-(3-hydroxypropoxy)benzoyl]-3-keto-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(CC(=O)N1CC(=O)O)C(=O)C3=CC=C(C=C3)OCCCO

Isomeric SMILES

C1C2=CC=CC=C2N(CC(=O)N1CC(=O)O)C(=O)C3=CC=C(C=C3)OCCCO

InChI

InChI=1S/C21H22N2O6/c24-10-3-11-29-17-8-6-15(7-9-17)21(28)23-13-19(25)22(14-20(26)27)12-16-4-1-2-5-18(16)23/h1-2,4-9,24H,3,10-14H2,(H,26,27)