(7-isoquinolin-1-ylheptanoylamino) benzoate

Systemtic Name: (7-isoquinolin-1-ylheptanoylamino) benzoate Openeye Name: [7-(1-isoquinolyl)heptanoylamino] benzoate CAS Name: benzoic acid [[7-(1-isoquinolinyl)-1-oxoheptyl]amino] ester IUPAC Name: (7-isoquinolin-1-ylheptanoylamino) benzoate Traditional Name: benzoic acid [7-(1-isoquinolyl)heptanoylamino] ester Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)ONC(=O)CCCCCCC2=NC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C(=O)ONC(=O)CCCCCCC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C23H24N2O3/c26-22(25-28-23(27)19-11-4-3-5-12-19)15-7-2-1-6-14-21-20-13-9-8-10-18(20)16-17-24-21/h3-5,8-13,16-17H,1-2,6-7,14-15H2,(H,25,26)