ethyl 4-[(4R)-4-(3-imidazol-1-ylpropyliminomethyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]benzoate

Systemtic Name: ethyl 4-[(4R)-4-(3-imidazol-1-ylpropyliminomethyl)-1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-[(4R)-4-(3-imidazol-1-ylpropyliminomethyl)-1,3-dioxo-4H-isoquinolin-2-yl]benzoate CAS Name: 4-[(4R)-4-[3-(1-imidazolyl)propyliminomethyl]-1,3-dioxo-4H-isoquinolin-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4R)-4-(3-imidazol-1-ylpropyliminomethyl)-1,3-dioxo-4H-isoquinolin-2-yl]benzoate Traditional Name: 4-[(4R)-4-(3-imidazol-1-ylpropyliminomethyl)-1,3-diketo-4H-isoquinolin-2-yl]benzoic acid ethyl ester Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCCN4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H](C3=CC=CC=C3C2=O)C=NCCCN4C=CN=C4

InChI

InChI=1S/C25H24N4O4/c1-2-33-25(32)18-8-10-19(11-9-18)29-23(30)21-7-4-3-6-20(21)22(24(29)31)16-26-12-5-14-28-15-13-27-17-28/h3-4,6-11,13,15-17,22H,2,5,12,14H2,1H3/t22-/m0/s1