phenethyl (4R,4aS)-4-(4-hydroxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: phenethyl (4R,4aS)-4-(4-hydroxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4R,4aS)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,4aS)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R,4aS)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,4aS)-4-(4-hydroxyphenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CCCC(=O)C2C(C1C(=O)OCCC3=CC=CC=C3)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=NC2=CCCC(=O)[C@H]2[C@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H25NO4/c1-16-22(25(29)30-15-14-17-6-3-2-4-7-17)23(18-10-12-19(27)13-11-18)24-20(26-16)8-5-9-21(24)28/h2-4,6-8,10-13,22-24,27H,5,9,14-15H2,1H3/t22?,23-,24-/m0/s1