butyl 3-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: butyl 3-[[1,4-bis(chloranyl)isoquinolin-7-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: butyl 3-[(1,4-dichloroisoquinoline-7-carbonyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(1,4-dichloro-7-isoquinolinyl)-oxomethyl]amino]-3-phenylpropanoic acid butyl ester IUPAC Name: butyl 3-[(1,4-dichloroisoquinoline-7-carbonyl)amino]-3-phenylpropanoate Traditional Name: 3-[(1,4-dichloroisoquinoline-7-carbonyl)amino]-3-phenyl-propionic acid butyl ester Formula: C23H22Cl2N2O3 MolecularWeight: 445.33838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

CCCCOC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C23H22Cl2N2O3/c1-2-3-11-30-21(28)13-20(15-7-5-4-6-8-15)27-23(29)16-9-10-17-18(12-16)22(25)26-14-19(17)24/h4-10,12,14,20H,2-3,11,13H2,1H3,(H,27,29)