(3S,4R)-3-(4-methoxyphenyl)-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-3-(4-methoxyphenyl)-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-3-(4-methoxyphenyl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(4-methoxyphenyl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-3-(4-methoxyphenyl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-1-keto-3-(4-methoxyphenyl)-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1[C@@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21NO4/c1-3-12-21-18(13-8-10-14(25-2)11-9-13)17(20(23)24)15-6-4-5-7-16(15)19(21)22/h4-11,17-18H,3,12H2,1-2H3,(H,23,24)/t17-,18-/m1/s1