2-[2-[[3-(pyridin-2-ylamino)propanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid

Systemtic Name: 2-[2-[[3-(pyridin-2-ylamino)propanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-3-yl]ethanoic acid Openeye Name: 2-[2-[[3-(2-pyridylamino)propanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid CAS Name: 2-[2-[oxo-[[1-oxo-3-(2-pyridinylamino)propyl]hydrazo]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid IUPAC Name: 2-[2-[[3-(pyridin-2-ylamino)propanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Traditional Name: 2-[2-[[3-(2-pyridylamino)propanoylamino]carbamoyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetic acid Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)NNC(=O)CCNC3=CC=CC=N3)CC(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)NNC(=O)CCNC3=CC=CC=N3)CC(=O)O

InChI

InChI=1S/C20H23N5O4/c26-18(8-10-22-17-7-3-4-9-21-17)23-24-20(29)25-13-15-6-2-1-5-14(15)11-16(25)12-19(27)28/h1-7,9,16H,8,10-13H2,(H,21,22)(H,23,26)(H,24,29)(H,27,28)