2-(8-carboxy-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: 2-(8-carboxy-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: 2-(8-carboxy-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(8-carboxy-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate IUPAC Name: 2-(8-carboxy-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(8-carboxy-4-phenethyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-2-yl)acetate Formula: C20H21N2O4- MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C(CN1CCC3=CC=CC=C3)C=CC(=C2)C(=O)O)CC(=O)[O-]

Isomeric SMILES

C1C(NC2=C(CN1CCC3=CC=CC=C3)C=CC(=C2)C(=O)O)CC(=O)[O-]

InChI

InChI=1S/C20H22N2O4/c23-19(24)11-17-13-22(9-8-14-4-2-1-3-5-14)12-16-7-6-15(20(25)26)10-18(16)21-17/h1-7,10,17,21H,8-9,11-13H2,(H,23,24)(H,25,26)/p-1