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

Systemtic Name: 4-methyl-2-[2-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]benzoic acid Openeye Name: 2-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-4-methyl-benzoic acid CAS Name: 2-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-4-methylbenzoic acid IUPAC Name: 2-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-4-methylbenzoic acid Traditional Name: 2-[2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)ethyl]-4-methyl-benzoic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)CCN2C=NC3=C2NC=NCC3O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)CCN2C=NC3=C2NC=NCC3O

InChI

InChI=1S/C16H18N4O3/c1-10-2-3-12(16(22)23)11(6-10)4-5-20-9-19-14-13(21)7-17-8-18-15(14)20/h2-3,6,8-9,13,21H,4-5,7H2,1H3,(H,17,18)(H,22,23)