2-(carboxymethyl)-1-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepine-7-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-1-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepine-7-carboxylic acid Openeye Name: 2-(carboxymethyl)-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepine-7-carboxylic acid CAS Name: 2-(carboxymethyl)-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepine-7-carboxylic acid IUPAC Name: 2-(carboxymethyl)-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepine-7-carboxylic acid Traditional Name: 2-(carboxymethyl)-3-keto-1-methyl-4-phenethyl-2,5-dihydro-1,4-benzodiazepine-7-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)N(CC2=C1C=CC(=C2)C(=O)O)CCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN1C(C(=O)N(CC2=C1C=CC(=C2)C(=O)O)CCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C21H22N2O5/c1-22-17-8-7-15(21(27)28)11-16(17)13-23(20(26)18(22)12-19(24)25)10-9-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,24,25)(H,27,28)