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

Systemtic Name: 2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-6-(3-propan-2-ylphenyl)quinoline-4-carboxylic acid Openeye Name: 2-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]-6-(3-isopropylphenyl)quinoline-4-carboxylic acid CAS Name: 2-[[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-6-(3-propan-2-ylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-6-(3-propan-2-ylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]carbamoyl]-6-m-cumenyl-cinchoninic acid Formula: C30H28N2O6 MolecularWeight: 512.55312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=CC(=C1)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)OC

InChI

InChI=1S/C30H28N2O6/c1-17(2)19-5-4-6-20(14-19)21-9-12-25-23(15-21)24(29(35)36)16-26(31-25)28(34)32-27(30(37)38-3)13-18-7-10-22(33)11-8-18/h4-12,14-17,27,33H,13H2,1-3H3,(H,32,34)(H,35,36)/t27-/m0/s1