isoquinolin-3-yl 3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: isoquinolin-3-yl 3,5-bis(oxidanyl)hept-6-enoate Openeye Name: 3-isoquinolyl 3,5-dihydroxyhept-6-enoate CAS Name: 3,5-dihydroxy-6-heptenoic acid 3-isoquinolinyl ester IUPAC Name: isoquinolin-3-yl 3,5-dihydroxyhept-6-enoate Traditional Name: 3,5-dihydroxyhept-6-enoic acid 3-isoquinolyl ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(CC(=O)OC1=CC2=CC=CC=C2C=N1)O)O

Isomeric SMILES

C=CC(CC(CC(=O)OC1=CC2=CC=CC=C2C=N1)O)O

InChI

InChI=1S/C16H17NO4/c1-2-13(18)8-14(19)9-16(20)21-15-7-11-5-3-4-6-12(11)10-17-15/h2-7,10,13-14,18-19H,1,8-9H2