ethyl 2-[5-cyclopentyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-cyclopentyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoate Openeye Name: ethyl 2-[5-cyclopentyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate CAS Name: 2-[5-cyclopentyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-cyclopentyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate Traditional Name: 2-[5-cyclopentyl-2-keto-1-(2-keto-3,3-dimethyl-butyl)-1,3,4-benzotriazepin-3-yl]acetic acid ethyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCC3)CC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCC3)CC(=O)C(C)(C)C

InChI

InChI=1S/C23H31N3O4/c1-5-30-20(28)15-26-22(29)25(14-19(27)23(2,3)4)18-13-9-8-12-17(18)21(24-26)16-10-6-7-11-16/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3