2-[7-carboxy-4-(2-cyclohexylethyl)-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[7-carboxy-4-(2-cyclohexylethyl)-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-carboxy-4-(2-cyclohexylethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-carboxy-4-(2-cyclohexylethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-carboxy-4-(2-cyclohexylethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-carboxy-4-(2-cyclohexylethyl)-3-keto-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C20H25N2O5- MolecularWeight: 373.4229

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2CC3=C(C=CC(=C3)C(=O)O)NC(C2=O)CC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCN2CC3=C(C=CC(=C3)C(=O)O)NC(C2=O)CC(=O)[O-]

InChI

InChI=1S/C20H26N2O5/c23-18(24)11-17-19(25)22(9-8-13-4-2-1-3-5-13)12-15-10-14(20(26)27)6-7-16(15)21-17/h6-7,10,13,17,21H,1-5,8-9,11-12H2,(H,23,24)(H,26,27)/p-1