(3S,4R)-1-oxidanylidene-2-(phenylmethyl)-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-1-oxidanylidene-2-(phenylmethyl)-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-benzyl-3-isopropyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-1-oxo-2-(phenylmethyl)-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-benzyl-1-oxo-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-benzyl-3-isopropyl-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C20H21NO3 MolecularWeight: 323.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)[C@H]1[C@@H](C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H21NO3/c1-13(2)18-17(20(23)24)15-10-6-7-11-16(15)19(22)21(18)12-14-8-4-3-5-9-14/h3-11,13,17-18H,12H2,1-2H3,(H,23,24)/t17-,18+/m1/s1