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

Systemtic Name: (3S)-2-[(3-ethoxy-3-oxidanylidene-propyl)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[(3-ethoxy-3-oxo-propyl)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[[(3-ethoxy-3-oxopropyl)-ethylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(3-ethoxy-3-oxopropyl)-ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[(3-ethoxy-3-keto-propyl)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-3-19(10-9-16(21)25-4-2)18(24)20-12-14-8-6-5-7-13(14)11-15(20)17(22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H,22,23)/t15-/m0/s1