1-[[di(propan-2-yl)amino]-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 1-[[di(propan-2-yl)amino]-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-[(diisopropylamino)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 1-[[[di(propan-2-yl)amino]-ethylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-[[di(propan-2-yl)amino]-ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-[(diisopropylamino)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C19H29N3O3 MolecularWeight: 347.45186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1C2=CC=CC=C2CCN1C(=O)O)N(C(C)C)C(C)C

Isomeric SMILES

CCN(C(=O)C1C2=CC=CC=C2CCN1C(=O)O)N(C(C)C)C(C)C

InChI

InChI=1S/C19H29N3O3/c1-6-21(22(13(2)3)14(4)5)18(23)17-16-10-8-7-9-15(16)11-12-20(17)19(24)25/h7-10,13-14,17H,6,11-12H2,1-5H3,(H,24,25)