2-(3-azanyl-3-oxidanylidene-propyl)-3-(3-hydroxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-3-(3-hydroxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-3-(3-hydroxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-(3-amino-3-oxopropyl)-3-(3-hydroxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-3-(3-hydroxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(3-amino-3-keto-propyl)-3-(3-hydroxyphenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(N(C2=O)CCC(=O)N)C3=CC(=CC=C3)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(N(C2=O)CCC(=O)N)C3=CC(=CC=C3)O)C(=O)O

InChI

InChI=1S/C19H18N2O5/c20-15(23)8-9-21-17(11-4-3-5-12(22)10-11)16(19(25)26)13-6-1-2-7-14(13)18(21)24/h1-7,10,16-17,22H,8-9H2,(H2,20,23)(H,25,26)