2-[5-cyclohexyl-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethyl ethanoate

Systemtic Name: 2-[5-cyclohexyl-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethyl ethanoate Openeye Name: 2-[3-(benzyloxycarbonylamino)-5-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl acetate CAS Name: acetic acid 2-[5-cyclohexyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethyl ester IUPAC Name: 2-[5-cyclohexyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethyl acetate Traditional Name: acetic acid 2-[3-(benzyloxycarbonylamino)-5-cyclohexyl-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]ethyl ester Formula: C28H33N3O5 MolecularWeight: 491.57872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)NC(=O)OCC4=CC=CC=C4)CCOC(=O)C

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)NC(=O)OCC4=CC=CC=C4)CCOC(=O)C

InChI

InChI=1S/C28H33N3O5/c1-19-10-9-15-23-24(22-13-7-4-8-14-22)29-26(27(33)31(25(19)23)16-17-35-20(2)32)30-28(34)36-18-21-11-5-3-6-12-21/h3,5-6,9-12,15,22,26H,4,7-8,13-14,16-18H2,1-2H3,(H,30,34)