2-(3-imidazol-1-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(3-imidazol-1-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-imidazol-1-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[3-(1-imidazolyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3-imidazol-1-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(3-imidazol-1-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CCN3C=CN=C3)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CCN3C=CN=C3)C(=O)O

InChI

InChI=1S/C16H17N3O3/c20-15(5-7-18-8-6-17-11-18)19-10-13-4-2-1-3-12(13)9-14(19)16(21)22/h1-4,6,8,11,14H,5,7,9-10H2,(H,21,22)