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

Systemtic Name: ethyl (3S)-2-[(3-ethoxy-3-oxidanylidene-propyl)-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3S)-2-[(3-ethoxy-3-oxo-propyl)-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[(3-ethoxy-3-oxopropyl)-methylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-2-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(3-ethoxy-3-keto-propyl)-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-4-25-17(22)10-11-20(3)19(24)21-13-15-9-7-6-8-14(15)12-16(21)18(23)26-5-2/h6-9,16H,4-5,10-13H2,1-3H3/t16-/m0/s1