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

Systemtic Name: 3-[2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-(5-cyclohexyl-1-isopentyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[5-cyclohexyl-1-(3-methylbutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-(5-cyclohexyl-1-isoamyl-2-keto-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoic acid Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)O)C4CCCCC4

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)O)C4CCCCC4

InChI

InChI=1S/C28H34N4O4/c1-19(2)15-16-31-24-14-7-6-13-23(24)26(20-9-4-3-5-10-20)30-32(28(31)36)18-25(33)29-22-12-8-11-21(17-22)27(34)35/h6-8,11-14,17,19-20H,3-5,9-10,15-16,18H2,1-2H3,(H,29,33)(H,34,35)