2-(carboxymethyl)-3-(2,2-dimethoxyethylamino)-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-3-(2,2-dimethoxyethylamino)-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid Openeye Name: 2-(carboxymethyl)-3-(2,2-dimethoxyethylamino)-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid CAS Name: 2-(carboxymethyl)-3-(2,2-dimethoxyethylamino)-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid IUPAC Name: 2-(carboxymethyl)-3-(2,2-dimethoxyethylamino)-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid Traditional Name: 2-(carboxymethyl)-3-(2,2-dimethoxyethylamino)-2,5-dihydro-1H-1,4-benzodiazepine-8-carboxylic acid Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC1=NCC2=C(C=C(C=C2)C(=O)O)NC1CC(=O)O)OC

Isomeric SMILES

COC(CNC1=NCC2=C(C=C(C=C2)C(=O)O)NC1CC(=O)O)OC

InChI

InChI=1S/C16H21N3O6/c1-24-14(25-2)8-18-15-12(6-13(20)21)19-11-5-9(16(22)23)3-4-10(11)7-17-15/h3-5,12,14,19H,6-8H2,1-2H3,(H,17,18)(H,20,21)(H,22,23)