ethyl 3-[1-[(4-methoxyphenyl)methyl]-7-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate

Systemtic Name: ethyl 3-[1-[(4-methoxyphenyl)methyl]-7-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[7-[6-(tert-butoxycarbonylamino)hexyl]-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[1-[(4-methoxyphenyl)methyl]-7-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[(4-methoxyphenyl)methyl]-7-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[7-[6-(tert-butoxycarbonylamino)hexyl]-2,5-diketo-1-p-anisyl-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C33H45N3O7 MolecularWeight: 595.7263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCCNC(=O)OC(C)(C)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCCNC(=O)OC(C)(C)C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C33H45N3O7/c1-6-42-30(38)18-20-35-23-29(37)36(22-25-12-15-26(41-5)16-13-25)28-17-14-24(21-27(28)31(35)39)11-9-7-8-10-19-34-32(40)43-33(2,3)4/h12-17,21H,6-11,18-20,22-23H2,1-5H3,(H,34,40)