2-[2-(phenylmethoxycarbonylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-(phenylmethoxycarbonylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[1-oxo-2-(phenylmethoxycarbonylamino)butyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-(phenylmethoxycarbonylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5/c1-2-18(23-22(28)29-14-15-8-4-3-5-9-15)20(25)24-13-17-11-7-6-10-16(17)12-19(24)21(26)27/h3-11,18-19H,2,12-14H2,1H3,(H,23,28)(H,26,27)