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

Systemtic Name: (3S,4R)-3-(4-methoxyphenyl)-1-oxidanylidene-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-3-(4-methoxyphenyl)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(4-methoxyphenyl)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-3-(4-methoxyphenyl)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-1-keto-3-(4-methoxyphenyl)-2-phenethyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H23NO4/c1-30-19-13-11-18(12-14-19)23-22(25(28)29)20-9-5-6-10-21(20)24(27)26(23)16-15-17-7-3-2-4-8-17/h2-14,22-23H,15-16H2,1H3,(H,28,29)/t22-,23-/m1/s1