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

Systemtic Name: (3S,4S)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-2-cyclohexyl-1-keto-3-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@H](C3=CC=CC=C3C(=O)N2C4CCCCC4)C(=O)O

InChI

InChI=1S/C23H25NO4/c1-28-17-13-11-15(12-14-17)21-20(23(26)27)18-9-5-6-10-19(18)22(25)24(21)16-7-3-2-4-8-16/h5-6,9-14,16,20-21H,2-4,7-8H2,1H3,(H,26,27)/t20-,21+/m0/s1