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

Systemtic Name: (3S,4R)-3-(3-ethoxy-4-methoxy-phenyl)-1-oxidanylidene-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-3-(3-ethoxy-4-methoxy-phenyl)-2-isopropyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(3-ethoxy-4-methoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-3-(3-ethoxy-4-methoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-3-(3-ethoxy-4-methoxy-phenyl)-2-isopropyl-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C3=CC=CC=C3C(=O)N2C(C)C)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2C(C)C)C(=O)O)OC

InChI

InChI=1S/C22H25NO5/c1-5-28-18-12-14(10-11-17(18)27-4)20-19(22(25)26)15-8-6-7-9-16(15)21(24)23(20)13(2)3/h6-13,19-20H,5H2,1-4H3,(H,25,26)/t19-,20-/m1/s1