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

Systemtic Name: 2-[8-carboxy-4-(3-methylbutyl)-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-(8-carboxy-4-isopentyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-[8-carboxy-4-(3-methylbutyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[8-carboxy-4-(3-methylbutyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-(8-carboxy-4-isoamyl-3-keto-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Formula: C17H21N2O5- MolecularWeight: 333.35904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CC2=C(C=C(C=C2)C(=O)O)NC(C1=O)CC(=O)[O-]

Isomeric SMILES

CC(C)CCN1CC2=C(C=C(C=C2)C(=O)O)NC(C1=O)CC(=O)[O-]

InChI

InChI=1S/C17H22N2O5/c1-10(2)5-6-19-9-12-4-3-11(17(23)24)7-13(12)18-14(16(19)22)8-15(20)21/h3-4,7,10,14,18H,5-6,8-9H2,1-2H3,(H,20,21)(H,23,24)/p-1