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

Systemtic Name: ethyl (3S)-2-[(3-ethoxy-3-oxidanylidene-propyl)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3S)-2-[(3-ethoxy-3-oxo-propyl)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[(3-ethoxy-3-oxopropyl)-ethylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-2-[(3-ethoxy-3-oxopropyl)-ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(3-ethoxy-3-keto-propyl)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OCC)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCC

Isomeric SMILES

CCN(CCC(=O)OCC)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC

InChI

InChI=1S/C20H28N2O5/c1-4-21(12-11-18(23)26-5-2)20(25)22-14-16-10-8-7-9-15(16)13-17(22)19(24)27-6-3/h7-10,17H,4-6,11-14H2,1-3H3/t17-/m0/s1