ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate Openeye Name: ethyl 3-(7-iodo-1-isopropyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)-3-phenyl-propanoate CAS Name: 3-(7-iodo-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-(7-iodo-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl)-3-phenylpropanoate Traditional Name: 3-(7-iodo-1-isopropyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl)-3-phenyl-propionic acid ethyl ester Formula: C23H25IN2O4 MolecularWeight: 520.36007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)N2CC(=O)N(C3=C(C2=O)C=C(C=C3)I)C(C)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)N2CC(=O)N(C3=C(C2=O)C=C(C=C3)I)C(C)C

InChI

InChI=1S/C23H25IN2O4/c1-4-30-22(28)13-20(16-8-6-5-7-9-16)25-14-21(27)26(15(2)3)19-11-10-17(24)12-18(19)23(25)29/h5-12,15,20H,4,13-14H2,1-3H3