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

Systemtic Name: (3S,4R)-2-cyclohexyl-3-(3-ethoxy-4-methoxy-phenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-cyclohexyl-3-(3-ethoxy-4-methoxy-phenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-cyclohexyl-3-(3-ethoxy-4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-cyclohexyl-3-(3-ethoxy-4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-cyclohexyl-3-(3-ethoxy-4-methoxy-phenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)O)OC

InChI

InChI=1S/C25H29NO5/c1-3-31-21-15-16(13-14-20(21)30-2)23-22(25(28)29)18-11-7-8-12-19(18)24(27)26(23)17-9-5-4-6-10-17/h7-8,11-15,17,22-23H,3-6,9-10H2,1-2H3,(H,28,29)/t22-,23-/m1/s1