ethyl 3-[7-[(4-carbamimidoylphenyl)methoxy]-2,5-bis(oxidanylidene)-3,4-dihydro-1,4-benzodiazepin-1-yl]propanoate

Systemtic Name: ethyl 3-[7-[(4-carbamimidoylphenyl)methoxy]-2,5-bis(oxidanylidene)-3,4-dihydro-1,4-benzodiazepin-1-yl]propanoate Openeye Name: ethyl 3-[7-[(4-carbamimidoylphenyl)methoxy]-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]propanoate CAS Name: 3-[7-[(4-carbamimidoylphenyl)methoxy]-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[(4-carbamimidoylphenyl)methoxy]-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]propanoate Traditional Name: 3-[7-(4-amidinobenzyl)oxy-2,5-diketo-3,4-dihydro-1,4-benzodiazepin-1-yl]propionic acid ethyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)CNC(=O)C2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CCN1C(=O)CNC(=O)C2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H24N4O5/c1-2-30-20(28)9-10-26-18-8-7-16(11-17(18)22(29)25-12-19(26)27)31-13-14-3-5-15(6-4-14)21(23)24/h3-8,11H,2,9-10,12-13H2,1H3,(H3,23,24)(H,25,29)