(phenylmethyl) 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 1-[2-(diisopropylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[2-[di(propan-2-yl)amino]ethylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[2-(diisopropylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1C2=CC=CC=C2CCN1C(=O)OCC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1C2=CC=CC=C2CCN1C(=O)OCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H35N3O3/c1-19(2)28(20(3)4)17-15-27-25(30)24-23-13-9-8-12-22(23)14-16-29(24)26(31)32-18-21-10-6-5-7-11-21/h5-13,19-20,24H,14-18H2,1-4H3,(H,27,30)