6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-[2-(methylcarbamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=CC=C1C2=CC3=C(CN(CC3)C(=O)O)C=C2

Isomeric SMILES

CNC(=O)NC1=CC=CC=C1C2=CC3=C(CN(CC3)C(=O)O)C=C2

InChI

InChI=1S/C18H19N3O3/c1-19-17(22)20-16-5-3-2-4-15(16)13-6-7-14-11-21(18(23)24)9-8-12(14)10-13/h2-7,10H,8-9,11H2,1H3,(H,23,24)(H2,19,20,22)