2-[1-oxidanylidene-6-[2-(pyridin-2-ylamino)ethylcarbamoyl]-3,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[1-oxidanylidene-6-[2-(pyridin-2-ylamino)ethylcarbamoyl]-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1-oxo-6-[2-(2-pyridylamino)ethylcarbamoyl]-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[1-oxo-6-[oxo-[2-(2-pyridinylamino)ethylamino]methyl]-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-oxo-6-[2-(pyridin-2-ylamino)ethylcarbamoyl]-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[1-keto-6-[2-(2-pyridylamino)ethylcarbamoyl]-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)C(=O)NCCNC3=CC=CC=N3)CC(=O)O

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)C(=O)NCCNC3=CC=CC=N3)CC(=O)O

InChI

InChI=1S/C19H20N4O4/c24-17(25)12-23-10-6-13-11-14(4-5-15(13)19(23)27)18(26)22-9-8-21-16-3-1-2-7-20-16/h1-5,7,11H,6,8-10,12H2,(H,20,21)(H,22,26)(H,24,25)