6-hexyl-2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]quinoline-4-carboxylic acid

Systemtic Name: 6-hexyl-2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]quinoline-4-carboxylic acid Openeye Name: 6-hexyl-2-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]quinoline-4-carboxylic acid CAS Name: 6-hexyl-2-[[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-4-quinolinecarboxylic acid IUPAC Name: 6-hexyl-2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]quinoline-4-carboxylic acid Traditional Name: 6-hexyl-2-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]carbamoyl]cinchoninic acid Formula: C27H30N2O6 MolecularWeight: 478.5369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C27H30N2O6/c1-3-4-5-6-7-17-10-13-22-20(14-17)21(26(32)33)16-23(28-22)25(31)29-24(27(34)35-2)15-18-8-11-19(30)12-9-18/h8-14,16,24,30H,3-7,15H2,1-2H3,(H,29,31)(H,32,33)/t24-/m0/s1