ethyl (3S)-2-[(3-oxidanylidene-3-propan-2-yloxy-propyl)-propan-2-yl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl (3S)-2-[(3-oxidanylidene-3-propan-2-yloxy-propyl)-propan-2-yl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3S)-2-[(3-isopropoxy-3-oxo-propyl)-isopropyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[oxo-[(3-oxo-3-propan-2-yloxypropyl)-propan-2-ylamino]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-2-[(3-oxo-3-propan-2-yloxypropyl)-propan-2-ylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(3-isopropoxy-3-keto-propyl)-isopropyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)N(CCC(=O)OC(C)C)C(C)C

Isomeric SMILES

CCOC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)N(CCC(=O)OC(C)C)C(C)C

InChI

InChI=1S/C22H32N2O5/c1-6-28-21(26)19-13-17-9-7-8-10-18(17)14-24(19)22(27)23(15(2)3)12-11-20(25)29-16(4)5/h7-10,15-16,19H,6,11-14H2,1-5H3/t19-/m0/s1