ethyl 3-[7-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1-(naphthalen-2-ylmethyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate

Systemtic Name: ethyl 3-[7-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1-(naphthalen-2-ylmethyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[7-[5-(tert-butoxycarbonylamino)pentyl]-1-(2-naphthylmethyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[7-[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]-1-(2-naphthalenylmethyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1-(naphthalen-2-ylmethyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[7-[5-(tert-butoxycarbonylamino)pentyl]-2,5-diketo-1-(2-naphthylmethyl)-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C35H43N3O6 MolecularWeight: 601.73242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCNC(=O)OC(C)(C)C)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCNC(=O)OC(C)(C)C)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C35H43N3O6/c1-5-43-32(40)18-20-37-24-31(39)38(23-26-14-16-27-12-8-9-13-28(27)21-26)30-17-15-25(22-29(30)33(37)41)11-7-6-10-19-36-34(42)44-35(2,3)4/h8-9,12-17,21-22H,5-7,10-11,18-20,23-24H2,1-4H3,(H,36,42)