4-ethyl-3-[2-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoic acid

Systemtic Name: 4-ethyl-3-[2-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoic acid Openeye Name: 4-ethyl-3-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoic acid CAS Name: 4-ethyl-3-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoic acid IUPAC Name: 4-ethyl-3-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoic acid Traditional Name: 4-ethyl-3-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoic acid Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)CCN2C=NC3=C2NC=NCC3O

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)CCN2C=NC3=C2NC=NCC3O

InChI

InChI=1S/C17H20N4O3/c1-2-11-3-4-13(17(23)24)7-12(11)5-6-21-10-20-15-14(22)8-18-9-19-16(15)21/h3-4,7,9-10,14,22H,2,5-6,8H2,1H3,(H,18,19)(H,23,24)