2-[2-(3-phenylpropanoylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-(3-phenylpropanoylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-(3-phenylpropanoylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[1-oxo-2-[(1-oxo-3-phenylpropyl)amino]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-(3-phenylpropanoylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-(hydrocinnamoylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-15(23-20(25)12-11-16-7-3-2-4-8-16)21(26)24-14-18-10-6-5-9-17(18)13-19(24)22(27)28/h2-10,15,19H,11-14H2,1H3,(H,23,25)(H,27,28)