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

Systemtic Name: (phenylmethyl) (3S)-2-[(3-ethoxy-3-oxidanylidene-propyl)-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OCC)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCN(CCC(=O)OCC)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5/c1-3-26(15-14-23(28)31-4-2)25(30)27-17-21-13-9-8-12-20(21)16-22(27)24(29)32-18-19-10-6-5-7-11-19/h5-13,22H,3-4,14-18H2,1-2H3/t22-/m0/s1