2-[5-cyclohexyl-1-[2-(1-methylcyclopentyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid

Systemtic Name: 2-[5-cyclohexyl-1-[2-(1-methylcyclopentyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-[5-cyclohexyl-1-[2-(1-methylcyclopentyl)-2-oxo-ethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid CAS Name: 2-[5-cyclohexyl-1-[2-(1-methylcyclopentyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-1-[2-(1-methylcyclopentyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-[5-cyclohexyl-2-keto-1-[2-keto-2-(1-methylcyclopentyl)ethyl]-1,3,4-benzotriazepin-3-yl]acetic acid Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC1)C(=O)CN2C3=CC=CC=C3C(=NN(C2=O)CC(=O)O)C4CCCCC4

Isomeric SMILES

CC1(CCCC1)C(=O)CN2C3=CC=CC=C3C(=NN(C2=O)CC(=O)O)C4CCCCC4

InChI

InChI=1S/C24H31N3O4/c1-24(13-7-8-14-24)20(28)15-26-19-12-6-5-11-18(19)22(17-9-3-2-4-10-17)25-27(23(26)31)16-21(29)30/h5-6,11-12,17H,2-4,7-10,13-16H2,1H3,(H,29,30)