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

Systemtic Name: 2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoic acid Openeye Name: 2-(5-cyclohexyl-1-isopentyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetic acid CAS Name: 2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid IUPAC Name: 2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid Traditional Name: 2-(5-cyclohexyl-1-isoamyl-2-keto-1,3,4-benzotriazepin-3-yl)acetic acid Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)O)C3CCCCC3

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)O)C3CCCCC3

InChI

InChI=1S/C21H29N3O3/c1-15(2)12-13-23-18-11-7-6-10-17(18)20(16-8-4-3-5-9-16)22-24(21(23)27)14-19(25)26/h6-7,10-11,15-16H,3-5,8-9,12-14H2,1-2H3,(H,25,26)