2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-ethanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-ethanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-2-phenylethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylacetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-acetyl]amino]-3-phenyl-propionic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(C3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(C3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H26N2O3/c29-25(27-23(26(30)31)17-19-9-3-1-4-10-19)24(21-12-5-2-6-13-21)28-16-15-20-11-7-8-14-22(20)18-28/h1-14,23-24H,15-18H2,(H,27,29)(H,30,31)