tert-butyl 2-[3-[(5-cyclohexyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]phenyl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(5-cyclohexyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]phenyl]ethanoate Openeye Name: tert-butyl 2-[3-[(5-cyclohexyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]phenyl]acetate CAS Name: 2-[3-[[[(5-cyclohexyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)amino]-oxomethyl]amino]phenyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(5-cyclohexyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]phenyl]acetate Traditional Name: 2-[3-[(5-cyclohexyl-2-keto-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamoylamino]phenyl]acetic acid tert-butyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3NC2=O)C4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)CC1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3NC2=O)C4CCCCC4

InChI

InChI=1S/C28H36N4O4/c1-28(2,3)36-25(33)17-19-10-9-11-20(16-19)29-27(35)31-23-18-32(21-12-5-4-6-13-21)24-15-8-7-14-22(24)30-26(23)34/h7-11,14-16,21,23H,4-6,12-13,17-18H2,1-3H3,(H,30,34)(H2,29,31,35)