2-[8-carboxy-1-methyl-3-oxidanylidene-4-(1-phenylethyl)-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[8-carboxy-1-methyl-3-oxidanylidene-4-(1-phenylethyl)-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[8-carboxy-1-methyl-3-oxo-4-(1-phenylethyl)-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[8-carboxy-1-methyl-3-oxo-4-(1-phenylethyl)-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[8-carboxy-1-methyl-3-oxo-4-(1-phenylethyl)-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[8-carboxy-3-keto-1-methyl-4-(1-phenylethyl)-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Formula: C21H21N2O5- MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC3=C(C=C(C=C3)C(=O)O)N(C(C2=O)CC(=O)[O-])C

Isomeric SMILES

CC(C1=CC=CC=C1)N2CC3=C(C=C(C=C3)C(=O)O)N(C(C2=O)CC(=O)[O-])C

InChI

InChI=1S/C21H22N2O5/c1-13(14-6-4-3-5-7-14)23-12-16-9-8-15(21(27)28)10-17(16)22(2)18(20(23)26)11-19(24)25/h3-10,13,18H,11-12H2,1-2H3,(H,24,25)(H,27,28)/p-1