(phenylmethyl) 3-[2-[5-cyclopentyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoate

Systemtic Name: (phenylmethyl) 3-[2-[5-cyclopentyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoate Openeye Name: benzyl 3-[[2-[5-cyclopentyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[5-cyclopentyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-1-oxoethyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[2-[5-cyclopentyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[5-cyclopentyl-2-keto-1-(2-keto-3,3-dimethyl-butyl)-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid benzyl ester Formula: C35H38N4O5 MolecularWeight: 594.70002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4)C5CCCC5

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)OCC4=CC=CC=C4)C5CCCC5

InChI

InChI=1S/C35H38N4O5/c1-35(2,3)30(40)21-38-29-19-10-9-18-28(29)32(25-14-7-8-15-25)37-39(34(38)43)22-31(41)36-27-17-11-16-26(20-27)33(42)44-23-24-12-5-4-6-13-24/h4-6,9-13,16-20,25H,7-8,14-15,21-23H2,1-3H3,(H,36,41)