2-diethylaminoethyl 4-[3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanoylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanoylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanoylamino]benzoate Traditional Name: 4-[3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propanoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C27H32N4O5/c1-3-30(4-2)17-18-36-27(35)21-9-11-22(12-10-21)29-24(32)13-15-28-25(33)19-31-16-14-20-7-5-6-8-23(20)26(31)34/h5-12,14,16H,3-4,13,15,17-19H2,1-2H3,(H,28,33)(H,29,32)