2-[4-oxidanylidene-1-(3-phenylpropanoylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-1-(3-phenylpropanoylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoic acid Openeye Name: 2-[4-oxo-1-(3-phenylpropanoylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid CAS Name: 2-[4-oxo-1-[(1-oxo-3-phenylpropyl)amino]-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid IUPAC Name: 2-[4-oxo-1-(3-phenylpropanoylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid Traditional Name: 2-[1-(hydrocinnamoylamino)-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2N(C1=O)CC(=O)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(C2=CC=CC=C2N(C1=O)CC(=O)O)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4/c24-18(11-10-15-6-2-1-3-7-15)21-23-13-12-19(25)22(14-20(26)27)16-8-4-5-9-17(16)23/h1-9H,10-14H2,(H,21,24)(H,26,27)