(phenylmethyl) (3S)-3-(4-oxidanylbutylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (3S)-3-(4-oxidanylbutylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (3S)-3-(4-hydroxybutylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[(4-hydroxybutylamino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-(4-hydroxybutylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(4-hydroxybutylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NCCCCO

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NCCCCO

InChI

InChI=1S/C22H26N2O4/c25-13-7-6-12-23-21(26)20-14-18-10-4-5-11-19(18)15-24(20)22(27)28-16-17-8-2-1-3-9-17/h1-5,8-11,20,25H,6-7,12-16H2,(H,23,26)/t20-/m0/s1